Penberthycroftite, [Al6(AsO4)3(OH)9(H2O)5]·8H2O, a second new hydrated aluminium arsenate mineral from the Penberthy Croft mine, St. Hilary, Cornwall, UK

2016 ◽  
Vol 80 (7) ◽  
pp. 1149-1160 ◽  
Author(s):  
I. E. Grey ◽  
J. Betterton ◽  
A. R. Kampf ◽  
C. M. Macrae ◽  
F. L. Shanks ◽  
...  
Keyword(s):  
Layer Structure ◽  
Monoclinic Space Group ◽  
X Ray Diffraction ◽  
Single Crystal Diffraction ◽  
Calculated Density ◽  
Metal Atoms ◽  
Cell Dimensions ◽  
Unit Cell Dimensions ◽  
Hydrated Aluminium ◽  
The Ideal

AbstractPenberthycroftite, ideally [Al6(AsO4)3(OH)9(H2O)5]·8H2O, is a new secondary aluminium arsenate mineral from the Penberthy Croft mine, St. Hilary, Cornwall, England, UK. It occurs as tufts of white, ultrathin (sub-micrometre) rectangular laths, with lateral dimensions generally < 20 μm. The laths are flattened on {010} and elongated on [100]. The mineral is associated with arsenopyrite, bettertonite, bulachite, cassiterite, chalcopyrite, chamosite, goethite, liskeardite, pharmacoalumite–pharmacosiderite and quartz. Penberthycroftite is translucent with a white streak and a vitreous to pearly lustre. The calculated density is 2.18 g/cm3. Optically, only the lower and upper refractive indices could be measured, 1.520(1) and 1.532(1) respectively. No pleochroism was observed. Electron microprobe analyses (average of 14) with H2O obtained from thermogravimetric analysis and analyses normalized to 100% gave Al2O3 = 31.3, Fe2O3 = 0.35, As2O5 = 34.1, SO3 = 2.15 and H2O = 32.1. The empirical formula, based on nine metal atoms and 26 framework anions is [Al5.96Fe0.04(As0.97Al0.03O4)3(SO4)0.26(OH)8.30(H2O)5.44](H2O)7.8, corresponding to the ideal formula [Al6(AsO4)3(OH)9(H2O)5]·8H2O. Penberthycroftite is monoclinic, space group P21/c with unit-cell dimensions (100 K): a = 7.753(2) Å, b = 24.679(5) Å, c = 15.679(3) Å and β = 94.19(3)°. The strongest lines in the powder X-ray diffraction pattern are [dobs in Å(I) (hkl)] 13.264(46) (011); 12.402(16)(020); 9.732(100)(021); 7.420(28)(110); 5.670(8)(130); 5.423(6)(1̄31). The structure of penberthycroftite was solved using synchrotron single-crystal diffraction data and refined to wRobs = 0.059 for 1639 observed (I> 3σ(I)) reflections. Penberthycroftite has a heteropolyhedral layer structure, with the layers parallel to {010}. The layers are strongly undulating and their stacking produces large channels along [100] that are filled with water molecules. The layers are identical to those in bettertonite, but they are displaced relative to one another along [001] and [010] such that the interlayer volume is decreased markedly (by ∼10%)relative to that in bettertonite, with a corresponding reduction in the interlayer water content from 11 H2O per formula unit (pfu) in bettertonite to 8 H2O pfu in penberthycroftite.

Bettertonite, [Al6(AsO4)3(OH)9(H2O)5]·11H2O, a new mineral from the Penberthy Croft mine, St. Hilary, Cornwall, UK, with a structure based on polyoxometalate clusters

2015 ◽  
Vol 79 (7) ◽  
pp. 1849-1858 ◽  
Author(s):  
I.E. Grey ◽  
A.R. Kampf ◽  
J.R. Price ◽  
C.M. Macrae
Keyword(s):  
Layer Structure ◽  
New Mineral ◽  
Water Molecules ◽  
Monoclinic Space Group ◽  
X Ray Diffraction ◽  
Calculated Density ◽  
Hexagonal Ring ◽  
Metal Atoms ◽  
Cell Dimensions ◽  
Unit Cell Dimensions

AbstractBettertonite, ideally [Al6(AsO4)3(OH)9(H2O)5]·11H2O, is a new mineral from the Penberthy Croft mine, St. Hilary, Cornwall, England, UK. It occurs as tufts of white, ultrathin (sub-micrometre) rectangular laths, with lateral dimensions generally <20 μm. The laths are flattened on {010} and exhibit the forms {010}, {100} and {001}. The mineral is associated closely with arsenopyrite, chamosite, liskeardite, pharmacoalumite, pharmacosiderite and quartz. Bettertonite is translucent with a white streak and a vitreous to pearly, somewhat silky lustre. The calculated density is 2.02 g/cm3. Optically, bettertonite is biaxial positive with α = 1.511(1), β = 1.517(1), γ = 1.523(1) (in white light). The optical orientation is X = c, Y= b, Z = a. Pleochroism was not observed. Electron microprobe analyses (average of 4) with H2O calculated on structural grounds and analyses normalized to 100% gave Al2O3 = 29.5, Fe2O3 = 2.0, As2O5= 30.1, SO3 = 1.8, Cl = 0.5, H2O = 36.2. The empirical formula, based on 9 metal atoms is Al5.86Fe0.26(AsO4)2.65(SO4)0.23(OH)9.82Cl0.13(H2O)15.5. Bettertoniteis monoclinic, space group P21/c with unit-cell dimensions (100 K): a = 7.773(2), b = 26.991(5), c = 15.867(3) Å, β = 94.22(3)°. The strongest lines in the powder X-ray diffraction pattern are [dobs in Å(I)(hkl)] 13.648(100)(011); 13.505(50) (020); 7.805(50)(031); 7.461(30)(110); 5.880(20)(130); 3.589(20)(02); 2.857(14)(182). The structure of bettertonite was solved and refined to R1 = 0.083 for 2164 observed (I > 2σ(I)) reflections to a resolutionof 1 Å. Bettertonite has a heteropolyhedral layer structure, with the layers parallel to (010). The layers are strongly undulating and their stacking produces large channels along [100] that are filled with water molecules. The basic building block in the layers is a hexagonal ring ofedge-shared octahedra with an AsO4 tetrahedron attached to one side of the ring by corner-sharing. These polyoxometalate clusters, of composition [AsAl6O11(OH)9(H2O)5]8–, are interconnected along [100] and [001]by corner-sharing with other AsO4 tetrahedra.

scholarly journals Kyawthuite, Bi3+Sb5+O4, a new gem mineral from Mogok, Burma (Myanmar)

2017 ◽  
Vol 81 (3) ◽  
pp. 477-484 ◽  
Author(s):  
Anthony R. Kampf ◽  
George R. Rossman ◽  
Chi Ma ◽  
Peter A. Williams
Keyword(s):  
Monoclinic Space Group ◽  
Optical Orientation ◽  
X Ray Diffraction ◽  
Calculated Density ◽  
Electron Pairs ◽  
X Ray ◽  
Conchoidal Fracture ◽  
Cell Dimensions ◽  
Mohs Hardness ◽  
Unit Cell Dimensions

AbstractKyawthuite, Bi3+Sb5+O4, is a new gem mineral found as a waterworn crystal in alluvium at Chaung-gyi-ah-le-ywa in the Chaung-gyi valley, near Mogok, Burma (Myanmar). Its description is based upon a single sample, which was faceted into a 1.61-carat gem.The composition suggests that the mineral formed in a pegmatite. Kyawthuite is monoclinic, space group I2/c, with unit cell dimensions a = 5.4624(4), b = 4.88519(17), c = 11.8520(8) Å, β = 101.195(7)°, V = 310.25(3) Å3and Z = 4. The colour is reddish orange and the streak is white. It is transparent with adamantine lustre. The Mohs hardness is 5½. Kyawthuite is brittle with a conchoidal fracture and three cleavages: {001} perfect, {110} and {110} good. The measured density is 8.256(5) g cm–3and the calculated density is 8.127 g cm–3. The mineral is optically biaxial with 2V = 90(2)°. The predicted indices of refraction are α = 2.194, β = 2.268, γ = 2.350. Pleochroism is imperceptible and the optical orientation is X = b; Y≈ c; Z ≈ a. Electron microprobe analyses, provided the empirical formula (Bi0.823+Sb0.183+)∑1.00(Sb0.995+Ta0.015+)∑1.00O4. The Raman spectrumis similar to that of synthetic Bi3+Sb5+O4. The infrared spectrum shows a trace amount of OH/H2O. The eight strongest powder X-ray diffraction lines are [dobs in Å(I)(hkl)]: 3.266(100)(112), 2.900(66)(112), 2.678(24)(200), 2.437(22)(020,114), 1.8663(21)(024), 1.8026(43)(116,220,204), 1.6264(23)(224,116) and 1.5288(28)(312,132). In the crystal structure of kyawthuite (R1 = 0.0269 for 593 reflections with Fo > 4σF), Sb5+O6 octahedrashare corners to form chequerboard-like sheets parallel to {001}. Atoms of Bi3+, located above and below the open squares in the sheets, form bonds to the O atoms in the sheets, thereby linking adjacent sheets into a framework. The Bi3+ atom is in lopsided 8 coordination,typical of a cation with stereoactive lone electron pairs. Kyawthuite is isostructural with synthetic β-Sb2O4 and clinocervantite (natural β-Sb2O4).

scholarly journals The reaction of 3,5-diphenyl-1,2-dithiolium-4-olate with aniline: the crystal structure of 1-phenylimino-2-phenylamino-3-phenylindene

1987 ◽  
Vol 65 (12) ◽  
pp. 2830-2833 ◽  
Author(s):  
David M. McKinnon ◽  
Peter D. Clark ◽  
Robert O. Martin ◽  
Louis T. J. Delbaere ◽  
J. Wilson Quail
Keyword(s):  
Molecular Structure ◽  
Crystal Structure ◽  
Single Crystal ◽  
Least Squares ◽  
Direct Methods ◽  
Monoclinic Space Group ◽  
X Ray Diffraction ◽  
X Ray ◽  
Cell Dimensions ◽  
Unit Cell Dimensions

3,5-Diphenyl-1,2-dithiolium-4-olate (1) reacts with aniline to form 1-phenylimino-2-phenylamino-3-phenylindene (3a). Under suitable conditions, 6-phenylbenzo[b]indeno[1,2-e]-1,2-thiazine is also formed. These structures are confirmed by alternative syntheses. The molecular structure of 3a has been determined by single crystal X-ray diffraction. Compound 3a crystallizes in the monoclinic space group C2/c with unit cell dimensions a = 20.777(3) Å, b = 6.130(3) Å, c = 31.327(3) Å, 3 = 99.59(1)°, and Z = 8. The structure was solved by direct methods and refined by least squares to a final R = 0.055. The molecular structure of 3a shows the three phenyl containing substituents to have the planes of their ring systems tilted between 40° and 60° from the plane of the indene system due to steric repulsions.

Structures of 2 Vanadium(V) Complexes With Tridentate Ligands

1986 ◽  
Vol 39 (7) ◽  
pp. 1081 ◽  
Author(s):  
AA Diamantis ◽  
JM Frederiksen ◽  
MA Salam ◽  
MR Snow ◽  
ERT Tiekink
Keyword(s):  
Tridentate Ligand ◽  
Monoclinic Space Group ◽  
X Ray Diffraction ◽  
Tridentate Ligands ◽  
Tetragonal Pyramid ◽  
Coordination Environment ◽  
X Ray ◽  
Cell Dimensions ◽  
Unit Cell Dimensions ◽  
Oxo Ligand

The crystal structures of two vanadium(v) complexes, VOL(OCH2CH3)(1) and (VOL)2O (2), where L is the dinegative , tridentate ligand 4- phenylbutane-2,4-dione benzoylhydrazonato (2-), were determined by X-ray diffraction methods. Crystals of (1) are monoclinic, space group P21/n, a 11.064(4), b 7.565(1), c 21.786(5) Ǻ and β 95.93(2)° and Z 4; those of (2) are also monoclinic, C2/ c, with unit cell dimensions a 18.287(3), b 14.991(2), c 11.643(2)Ǻ, β 92.85(2)° for Z 4. The structures were refined by full-matrix least-squares methods to final R 0.036 for 1801 reflections with I ≥ 2.5σ(I) for (1), and R 0.061 for 1272 reflections with I ≥ 2.5σ(I) for (2). The coordination environment of the vanadium atom in both structures is a tetragonal pyramid with the oxo ligand occupying the apical positon.

Campostriniite, (Bi3+,Na)3(NH4,K)2Na2(SO4)6·H2O, a new sulfate isostructural with görgeyite, from La Fossa Crater, Vulcano, Aeolian Islands, Italy

2015 ◽  
Vol 79 (4) ◽  
pp. 1007-1018 ◽  
Author(s):  
Francesco Demartin ◽  
Carlo Castellano ◽  
Carlo Maria Gramaccioli
Keyword(s):  
General Position ◽  
New Mineral ◽  
Monoclinic Space Group ◽  
Fold Axis ◽  
X Ray Diffraction ◽  
Single Crystal Diffraction ◽  
Calculated Density ◽  
Aeolian Islands ◽  
Na Ions ◽  
Fossa Crater

AbstractThe new mineral campostriniite, (Bi3+,Na)3(NH4,K)2Na2(SO4)6·H2O, was found in an active fumarole (fumarole FA, temperature ∼350°C) at La Fossa Crater, Vulcano, Aeolian Islands, Sicily, Italy. It occurs on a pyroclastic breccia as white prismatic crystals up to 0.2 mm long, in association with adranosite, demicheleite-(Br), demicheleite-(I), argesite and sassolite. The mineral is monoclinic, space group: C2/c (no. 15) with a = 17.748(3), b = 6.982(1) c = 18.221(3) Å, β = 113.97(1)°, V = 2063(1) Å3 and Z = 4. The six strongest reflections in the powder X-ray diffraction pattern are: [dobs in Å (I)(hkl)] 6.396(100)(110), 7.507(75)(202), 2.766(60)(316), 3.380(57)(312), 5.677(55)(111), 3.166(50)(4 0 2). The empirical formula (based on 25 anions p.f.u.) is Bi2.41N1.52Na2.41K0.48 S6.07H8.08O25. The calculated density is 3.87 g cm–3. Using single-crystal diffraction data, the structure was refined to a final R(F) = 0.051 for 3025 independent observed reflections [I > 2σ(I)]. Campostriniite is isostructural with görgeyite and belongs to the 7.CD group of the Strunz classification system. The structure contains two independent nine-fold coordinated sites, one of them located on a two-fold axis (M1) and the other one in general position (M2) essentially occupied by Bi3+ atoms and minor amounts of Na+ ions, an eight-fold coordinated site fully occupied by Na +ions and another eight-fold coordinated site occupied by NH+4 and K+ ions; three independent sulfate anions in a general position and a water molecule coordinated to M1 and located on a two-fold axis are also present.

Cluster Chemistry. XLVII. X-Ray Crystal Structure of OsPt2(μ-CO)3(CO)2(PPh3)3

1986 ◽  
Vol 39 (12) ◽  
pp. 2145 ◽  
Author(s):  
MI Bruce ◽  
MR Snow ◽  
ERT Tiekink
Keyword(s):  
Crystal Structure ◽  
X Ray Diffraction ◽  
Cluster Chemistry ◽  
Triclinic Space Group ◽  
X Ray ◽  
Metal Atoms ◽  
Metal Metal ◽  
Cell Dimensions ◽  
Unit Cell Dimensions ◽  
Triphenylphosphine Ligand

The crystal structure of OsPt2(μ-CO)3(CO)2(PPh3)3 has been determined by single-crystal X-ray diffraction techniques. Crystals are triclinic, space group Pī with unit cell dimensions a 13.593(4), b 15.839(4), c 12.633(8) Ǻ, α 102.97(3), β 108.18(2), γ 84.86(3)° with Z2. The structure was refined by a full-matrix least-squares procedure on 5896 reflections [I ≥ 2.5σ(I)] to final R 0.028 and Rw 0.034. A triphenylphosphine ligand binds each of the metal atoms disposed at the corners of a triangle. Each metal-metal bond is spanned by a bridging carbonyl group. The coordination about the osmium atom is completed by two terminal carbonyl groups.

Unit cell dimensions of the hydrated aluminium phosphate–sulphate minerals sanjuanite, kribergite, and hotsonite

1989 ◽  
Vol 53 (371) ◽  
pp. 385-386 ◽  
Author(s):  
H. De Bruiyn ◽  
G. J. Beukes ◽  
W. A. Van Der Westhuizen ◽  
E. A. W. Tordiffe
Keyword(s):  
Unit Cell ◽  
X Ray Diffraction ◽  
Aluminium Phosphate ◽  
Powder Diffraction File ◽  
Cell Parameters ◽  
Cell Dimensions ◽  
Unit Cells ◽  
Diffraction Patterns ◽  
Unit Cell Dimensions ◽  
Hydrated Aluminium

AT the time when the hydrated aluminium phosphate-sulphate hotsonite (Beukes et al., 1984a) and its equally rare relative zaherite (Beukes et al., 1984b; De Bruiyn et al., 1985) were discovered near Pofadder, South Africa, very little was known about the unit cells of the other two hydrated aluminium phosphate-sulphate minerals sanjuanite and kribergite, originally described by De Abeledo et al. (1968) from Argentina and Sweden, respectively. Although the Powder Diffraction file (PDF) contains the X-ray diffraction patterns for sanjuanite and kribergite (PDF 20-47 and 20-48 respectively), they had not been indexed nor have their unit cell parameters been calculated thus far.

scholarly journals Lead-tellurium oxysalts from Otto Mountain near Baker, California, USA: XII. Andychristyite, PbCu2+Te6+O5(H2O), a new mineral with hcp stair-step layers

2016 ◽  
Vol 80 (6) ◽  
pp. 1055-1065 ◽  
Author(s):  
Anthony R. Kampf ◽  
Mark A. Cooper ◽  
Stuart J. Mills ◽  
Robert M. Housley ◽  
George R. Rossman
Keyword(s):  
Empirical Formula ◽  
New Mineral ◽  
X Ray Diffraction ◽  
Calculated Density ◽  
Quartz Veins ◽  
Bluish Green ◽  
Cell Dimensions ◽  
Perfect Cleavage ◽  
Mohs Hardness ◽  
Unit Cell Dimensions

AbstractAndychristyite, PbCu2+Te6+O5(H2O), is a new tellurate mineral from Otto Mountain near Baker, California, USA. It occurs in vugs in quartz in association with timroseite. It is interpreted as having formed from the partial oxidation of primary sulfides and tellurides during or following brecciation of quartz veins. Andychristyite is triclinic, space group P1̄, with unit-cell dimensions a = 5.322(3), b = 7.098(4), c = 7.511 (4) Å, α = 83.486(7), β = 76.279(5), γ = 70.742(5)°, V = 260.0(2) Å3 and Z = 2. It forms as small tabular crystals up to ∼50 μm across, in sub-parallel aggregates. The colour is bluish green and the streak is very pale bluish green. Crystals are transparent with adamantine lustre. The Mohs hardness is estimated at between 2 and 3. Andychristyite is brittle with an irregular fracture and one perfect cleavage on {001}. The calculated density based on the empirical formula is 6.304 g/cm3. The mineral is optically biaxial, with large 2V, strong dispersion, and moderate very pale blue-green to medium blue-green pleochroism. The electron microprobe analyses (average of five) provided: PbO 43.21, CuO 15.38, TeO3 35.29, H2O 3.49 (structure), total 97.37 wt.%. The empirical formula (based on 6 O apfu) is: Pb0.98Cu2+0.98Te6+1.02O6H 1.96. The Raman spectrum exhibits prominent features consistent with the mineral being a tellurate, as well as an OH stretching feature confirming a hydrous component. The eight strongest powder X-ray diffraction lines are [dobs in Å(I)(hkl)]: 6.71(16)(010), 4.76(17)(110), 3.274(100)(120,102,012), 2.641(27)(102, 211, 112), 2.434(23)(multiple), 1.6736(17)(multiple), 1.5882(21)(multiple) and 1.5133(15)(multiple). The crystal structure of andychristyite (R1 = 0.0165 for 1511 reflections with Fo > 4σF) consists of stair-step-like hcp polyhedral layers of Te6+O6 and Cu2+O6 octahedra parallel to {001}, which are linked in the [001] direction by bonds to interlayer Pb atoms. The structures of eckhardite, bairdite, timroseite and paratimroseite also contain stair-step-like hcp polyhedral layers.

Crystal structure and crystal chemistry of fluoro-potassic-magnesio-arfvedsonite from Monte Metocha, Xixano region, Mozambique, and discussion of the holotype from Quebec, Canada

2010 ◽  
Vol 74 (6) ◽  
pp. 951-960 ◽  
Author(s):  
R. Oberti ◽  
M. Boiocchi ◽  
F. C. Hawthorne ◽  
P. Robinson
Keyword(s):  
Polarized Light ◽  
X Ray Diffraction ◽  
Calculated Density ◽  
Amphibole Composition ◽  
Fine Grained ◽  
Holotype Specimen ◽  
Cell Dimensions ◽  
Mohs Hardness ◽  
Crystallization Conditions ◽  
Unit Cell Dimensions

AbstractFluoro-potassic-magnesio-arfvedsonite, ideally AKBNa2c(Mg4Fe3+)TSi8O22wF2, has been found in a dyke ∼25 km southwest of Monte Metocha, Xixano region, northeastern Mozambique. Fluoro-potassic-magnesio-arfvedsonite and low sanidine form a fine-grained mafic, ultrapotassic, peralkaline igneous rock without visible phenocrysts. The amphibole is brittle, has a Mohs hardness of 6 and a splintery fracture; it is non-fluorescent with perfect {110} cleavage and no observable parting, and has a calculated density of 3.174 gcm−3. In plane-polarized light, it is pleochroic, X= pale grey-green, Y = blue-green, Z = pale grey; X ^ c = 23.6° (in β obtuse), Y ‖ b, Z ^ c = 66.4° (in β acute). Fluoro-potassic-magnesio-arfvedsonite is biaxial negative, α = 1.652(2), β = 1.658(2), γ = 1.660(2); 2Vobs = 22.5(7)°, 2Vcalc = 30.2°. The unit-cell dimensions are a = 9.9591(4), b = 17.9529(7), c = 5.2867(2) Å, β = 104.340(1)°, V = 919.73(10) Å3, Z = 2. The nine strongest X-ray diffraction lines in the experimental powder pattern are: [d in Å(I)(hkl)]: 2.716(100)(151), 3.410(70)(131), 8.475(50)(110), 3.178(50)(310), 3.309(30)(240), 2.762(20)(31), 2.549(20)(260), 2.351(10)(51), 2.269(10)(331). Electron microprobe analysis gave: SiO2 54.25, A12O3 0.03, TiO2 1.08, FeO 6.69, Fe2O3 8.07, MgO 13.99, MnO 0.32, ZnO 0.05, CaO 1.16, Na2O 6.33, K2O 5.20, F 2.20, H2Ocalc 0.74, sum 99.18 wt.%. The formula unit, calculated on the basis of 24 (O,OH,F) with (OH+F) = 2−(2 Ti), is AKa0.98B(Na1.18Ca0.18)∑1.99C(Mg3.07Fe0.832+Mn0.04Al0.01Fe0.903+Ti0.12Zn0.01)∑=4.98TSi8O22W[Fi.o3(OH)0.73O0.24]∑2.00 and confirms the usual pattern of cation order in the amphibole structure. The presence of a significant oxo component (locally balanced by Ti at the M(1) site) is related to the crystallization conditions. The presence of Fe3+ at the T sites, originally suggested for the holotype specimen, is discounted for this amphibole composition.

scholarly journals The crystal structure of 1-(4-chlorophenyl)-3-(4-methylbenzoyl)thiourea

2005 ◽  
Vol 3 (4) ◽  
pp. 780-791 ◽  
Author(s):  
Aamer Saeed ◽  
Masood Parvez
Keyword(s):  
Crystal Structure ◽  
Monoclinic Space Group ◽  
Fragmentation Pattern ◽  
X Ray Diffraction ◽  
1H And 13C Nmr ◽  
X Ray ◽  
Cell Dimensions ◽  
Intramolecular Hydrogen ◽  
Unit Cell Dimensions ◽  
Strong Intramolecular Hydrogen Bond

Abstract1-(4-Chlorophenyl)-3-(4-methylbenzoyl)thiourea was synthesized and characterized by IR,1H and 13C NMR, mass spectroscopy and the elemental analysis. The crystal structure was confirmed from single crystal X-ray diffraction data. It crystallizes in the monoclinic space group P21/c with unit cell dimensions a=12.038(3), b=6.330(6), c=18.912(5) Å and β=100.32(3)°. There is a strong intramolecular hydrogen bond of the type N−H...O, with distance N1...O1=2.659(3) Å. The structure is composed of dimers related by inversion centers. The dimers are formed by intermolecular interactions of the type N−H...S with N...S separation of 3.440(2) Å. The mass fragmentation pattern has also been discussed.

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