scholarly journals Crystal structure of a 1,1,2,2-tetrachloroethane-solvated hydrazinecarbothioamide compound

2017 ◽  
Vol 73 (9) ◽  
pp. 1271-1274 ◽  
Author(s):  
Sayed Riyadh ◽  
David L. Hughes ◽  
Musa A Said
Keyword(s):  
Crystal Structure ◽  
Tautomeric Form ◽  
Mixed Solvents ◽  
Three Dimensional ◽  
X Ray Diffraction ◽  
Azide Group ◽  
X Ray ◽  
H Nmr ◽  
Dimensional Network ◽  
Solvent Molecules

The title compound, [(1-{4-[2-(2,4-dihydroxyphenyl)diazen-1-yl]phenyl}ethylidene)amino]thiourea, 1,1,2,2-tetrachloroethane monosolvate, C15H15N5O2S·C2H2Cl4, was prepared from 4-(4-acetylphenyldiazendiyl)resorcinol and thiosemicarbazide and recrystallized from mixed solvents of tetrachloroethane andn-hexane.1H NMR and X-ray diffraction data are in support of the thione tautomeric form. The X-ray analysis shows the molecule crystallizes as a zwitterion, with proton transfer from the nominal phenol to the azide group; the N—N bond length is 1.291 (5) Å, and an intramolecular N—H...O hydrogen bond is formed. In the crystal, N—H...O, N—H...N and O—H...S hydrogen bonds connect the molecules into a three-dimensional network. The tetrachloroethane solvent molecules are linked to this network through weak C—H...O linkages.

scholarly journals Crystal structure of (R)-5-[(R)-3-(4-chlorophenyl)-5-methyl-4,5-dihydroisoxazol-5-yl]-2-methylcyclohex-2-enone

2020 ◽  
Vol 76 (3) ◽  
pp. 400-403
Author(s):  
Ali Oubella ◽  
My Youssef Ait Itto ◽  
Aziz Auhmani ◽  
Abdelkhalek Riahi ◽  
Jean-Claude Daran ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Column Chromatography ◽  
Title Compound ◽  
Crystal Packing ◽  
Three Dimensional ◽  
X Ray Diffraction ◽  
X Ray ◽  
H Nmr ◽  
Compound C ◽  
Dimensional Network

The title compound, C17H18ClNO2, was prepared and isolated as a pure diastereoisomer, using column chromatography followed by a succession of fractional crystallizations. Its exact structure was fully identified via 1H NMR and confirmed by X-ray diffraction. It is built up from a central five-membered dihydroisoxazole ring to which a p-chlorophenyl group and a cyclohex-2-enone ring are attached in the 3 and 5 positions. The cyclohex-2-one and isoxazoline rings each exhibit an envelope conformation. The crystal packing features C—H...O, C—H...N and C—H...π interactions, which generate a three-dimensional network.

Crystal and Molecular Structure of 3-Iodo-2-propynyl-N-butylcarbamate

1997 ◽  
Vol 52 (2) ◽  
pp. 256-258 ◽  
Author(s):  
Evgeni V. Avtomonov ◽  
Rainer Grüning ◽  
Jörg Lorberth
Keyword(s):  
Molecular Structure ◽  
Crystal Structure ◽  
Title Compound ◽  
Crystal And Molecular Structure ◽  
Three Dimensional ◽  
X Ray Diffraction ◽  
X Ray ◽  
Dimensional Network ◽  
Carbamate Group ◽  
Oxygen Atoms

Abstract The crystal structure of the title compound has been determined by X-ray diffraction methods. Due to the Lewis acidic character of the iodine substituent a “zig-zag” chain is formed via intermolecular interactions (2.933(4) A) between iodine and oxygen atoms of theocarbamate moiety. A three-dimensional network is formed through hydrogen-bridging (2.04 A) between NH-groups and the oxygen atoms of the neighbouring carbamate group of the next molecule.

scholarly journals Synthesis, crystal structure and charge-distribution validation of a new alluaudite-type phosphate, Na2.22Mn0.87In1.68(PO4)3

2020 ◽  
Vol 76 (8) ◽  
pp. 1369-1372
Author(s):  
Abdessalem Badri ◽  
Inmaculada Alvarez-Serrano ◽  
María Luisa López ◽  
Mongi Ben Amara
Keyword(s):  
Crystal Structure ◽  
Single Crystals ◽  
Three Dimensional ◽  
Structure Type ◽  
X Ray Diffraction ◽  
Flux Method ◽  
X Ray ◽  
Coordination Numbers ◽  
Dimensional Network ◽  
Anionic Framework

Na2.22Mn0.87In1.68(PO4)3, sodium manganese indium tris(phosphate) (2.22/0.87/1.68), was obtained in the form of single crystals by a flux method and was structurally characterized by single-crystal X-ray diffraction. The compound belongs to the alluaudite structure type (space group C2/c) with general formula X(2)X(1)M(1)M(2)2(PO4)3. The X(2) and X(1) sites are partially occupied by sodium [occupancy 0.7676 (17) and 1/2] while the M(1) and M(2) sites are fully occupied within a mixed distribution of sodium/manganese(II) and manganese(II)/indium, respectively. The three-dimensional anionic framework is built up on the basis of M(2)2O10 dimers that share opposite edges with M(1)O6 octahedra, thus forming infinite chains extending parallel to [10\overline{1}]. The linkage between these chains is ensured by PO4 tetrahedra through common vertices. The three-dimensional network thus constructed delimits two types of hexagonal channels, resulting from the catenation of M(2)2O10 dimers, M(1)O6 octahedra and PO4 tetrahedra through edge- and corner-sharing. The channels are occupied by Na+ cations with coordination numbers of seven and eight.

scholarly journals A New 3D Coordination Polymer of Bismuth with Nicotinic AcidN-Oxide

2013 ◽  
Vol 2013 ◽  
pp. 1-5 ◽  
Author(s):  
Farzin Marandi ◽  
Ingo Pantenburg ◽  
Gerd Meyer
Keyword(s):  
Crystal Structure ◽  
Thermal Stability ◽  
Coordination Polymer ◽  
Three Dimensional ◽  
Water Molecules ◽  
Monoclinic Space Group ◽  
X Ray Diffraction ◽  
X Ray ◽  
H Nmr ◽  
Thermal Stability Of

The new three-dimensional coordination polymer {[Bi(NNO)2(NO3)]·1.5H2O}n(1, NNO−= nicotinateN-oxide) was synthesized and characterized by elemental analysis, IR and1H-NMR spectroscopy, as well as single-crystal X-ray diffraction analysis.1crystallizes in the monoclinic space group C2/c. The crystal structure consists of a rectangular-shaped grid constructed with NNO linkers. Cavities of a diameter of 7.9–8.3 Å2are filled with disordered water molecules. The thermal stability of the compound was evaluated by thermogravimetric analysis.

Synthesis, crystal structure and topological analysis of a three-dimensional polymeric network based on zinc(II), potassium and 5-sulfobenzene-1,3-dicarboxylate (SIP)

2018 ◽  
Vol 74 (8) ◽  
pp. 981-985
Author(s):  
Flávia H. Silva ◽  
Chris H. J. Franco ◽  
Charlane C. Corrêa ◽  
Renata Diniz
Keyword(s):  
Crystal Structure ◽  
Topological Analysis ◽  
Three Dimensional ◽  
Strong Interactions ◽  
Monoclinic Space Group ◽  
X Ray Diffraction ◽  
X Ray ◽  
Structural Rigidity ◽  
Dimensional Network ◽  
Point Symbol

Aromatic polycarboxylate linkers provide structural rigidity and strong interactions among the metal centre and the carboxylate O atoms. A new three-dimensional coordination polymer namely, catena-poly[potassium [tetraaqua(μ-5-sulfobenzene-1,3-dicarboxylato)zinc(II)]], {K[Zn(C8H3O7S)(H2O)4]} n or {K[Zn(SIP)(H2O)4]} n , where SIP is 5-sulfobenzene-1,3-dicarboxylate or 5-sulfoisophthalate, was obtained and characterized by elemental analysis and IR vibrational spectroscopy, and the single-crystal structure was determined by X-ray diffraction analysis. The compound crystallizes in the monoclinic space group P21/n with Z = 4. Topological analysis revealed that K—O interactions form a two-dimensional network, which is uninodal 4-connected and can be described with a point symbol (44.62), and this plane network is classified as sql/Shubnikov. The layers are connected by Zn2+ ions coordinated to the SIP linker, forming a three-dimensional network. This net is a trinodal (3,5,6)-connected system with point symbol (3.44.52.62.73.83).(3.44.52.62.7).(3.72).

Synthesis and crystal structures of a 3-acetylated (20S,24S)-ocotillol-type saponin and its C-24 epimer

2017 ◽  
Vol 73 (6) ◽  
pp. 464-469 ◽  
Author(s):  
Juan Liu ◽  
Yang-Rong Xu ◽  
Xing-Si An ◽  
Gui-Ge Hou ◽  
Qing-Guo Meng
Keyword(s):  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Water Molecules ◽  
X Ray Diffraction ◽  
X Ray ◽  
H Nmr ◽  
Dimensional Network ◽  
Crystal Packings ◽  
C Nmr

In order to study the in vivo protective effect on myocardial ischemia, (20S,24R)-epoxydammarane-12β,25-diol, (V), and (20S,24S)-epoxydammarane-12β,25-diol, (VI), were synthesized through a novel synthetic route. Two key intermediates, namely (20S,24R)-3-acetyl-20,24-epoxydammarane-3β,12β,25-triol, (III) [obtained as the hemihydrate, C32H54O5·0.5H2O, (IIIa), and the ethanol hemisolvate, C32H54O5·0.5C2H5OH, (IIIb), with identical conformations but different crystal packings], and (20S,24S)-3-acetyl-20,24-epoxydammarane-3β,12β,25-triol, C32H54O5, (IV), were obtained during the synthesis. The structures were confirmed by 1H NMR, 13C NMR and HRMS analyses, and single-crystal X-ray diffraction. Molecules of (IIIa) are extended into a two-dimensional network constructed with water molecules linked alternately through intermolecular O—H...O hydrogen bonds, which are further stacked into a three-dimensional network. Compound (IIIb) contains two completely asymmetric molecules, which are linked in a disordered manner through intermolecular C—H...O hydrogen bonds. While the crystal stacks in compound (IV) are linked via weak C—H...O hydrogen bonds, the hydrogen-bonded chains extend helically along the crystallographic b axis.

Crystal Structure of the Pyridinium Salt of the Polymeric Tris(thiocyanato)dicuprate(I) Anion

1979 ◽  
Vol 32 (12) ◽  
pp. 2757 ◽  
Author(s):  
CL Raston ◽  
B Walter ◽  
AH White
Keyword(s):  
Crystal Structure ◽  
Nitrogen Atom ◽  
Single Crystal ◽  
Title Compound ◽  
Three Dimensional ◽  
Pyridinium Salt ◽  
The Other ◽  
X Ray Diffraction ◽  
X Ray ◽  
Dimensional Network

The title compound, [C5H6N]+ [Cu2(SCN)3]-, has been prepared and its crystal structure determined by single-crystal X-ray diffraction at 295(1) K. Crystals are monoclinic, Cc, a 11.238(7), b 11.644(4), c 10.020(4)Ǻ, β 102.67(3)°, Z 4, the structure being refined to a residual of 0.037 for the 960 'observed' reflections. The structure comprises a three-dimensional network of copper(I) atoms linked by bridging thiocyanate groups, the pyridinium counterions occupying sites in the network cavities. Both copper atoms are four-coordinate, one having an environment of one nitrogen atom [Cu-N, 1.926(9)Ǻ] and three sulfur atoms [Cu-S, 2.319(3), 2.421(3), 2.448(3)Ǻ], while the other is coordinated by two atoms of each type [Cu-N, 1.935(9), 1.947(10); Cu-S, 2.430(3), 2.493(4) Ǻ].

Synthesis, spectroscopic study, and crystal structure of a new organotin(IV) selenate derivative

2018 ◽  
Vol 41 (5-6) ◽  
pp. 183-188
Author(s):  
Waly Diallo ◽  
Libasse Diop ◽  
Cheikh Abdoul Khadir Diop ◽  
Hélène Cattey ◽  
Laurent Plasseraud
Keyword(s):  
Crystal Structure ◽  
Mass Spectrometry ◽  
Three Dimensional ◽  
Resonance Spectroscopy ◽  
Zigzag Chain ◽  
X Ray Diffraction ◽  
Oh Groups ◽  
Orthorhombic System ◽  
X Ray ◽  
Dimensional Network

Abstract The polymeric organotin(IV) selenate complex [(Me3Sn)3(SeO4)(OH)]n (1) has been isolated as single crystals from the reaction of [(Me2NH2)2SeO4] and Me3SnCl in methanol. In the solid state, compound 1 was characterized by X-ray diffraction analysis, Fourier transform-infrared spectroscopy, and elemental analysis. 1 crystallizes in the orthorhombic system space group Pbca with a=11.0231(2) Å, b=16.3461(3) Å, c=20.9945(4) Å, α=β=γ=90°, V=3782.89(12) Å3, and Z=8. Its structure can be described as a polymeric zigzag chain based on Me3Sn moieties linked by tridentate selenate anions. Pendant (Me3Sn)2OH groups are also connected to the chain, according to a syndiotactic organization, and via Sn-O-Se bonds. Intermolecular OH···O hydrogen bonds and long Se-O···Sn distance interactions promote the association of chains together and lead to the propagation of a three-dimensional network. In addition, the behavior of 1 in solution (methanol) was also studied by multinuclear nuclear magnetic resonance spectroscopy and mass spectrometry.

scholarly journals Crystal structure of bis[cis-(1,4,8,11-tetraazacyclotetradecane-κ4N)bis(thiocyanato-κN)chromium(III)] dichromate monohydrate from synchrotron X-ray diffraction data

2017 ◽  
Vol 73 (1) ◽  
pp. 72-75 ◽  
Author(s):  
Dohyun Moon ◽  
Masahiro Takase ◽  
Takashiro Akitsu ◽  
Jong-Ha Choi
Keyword(s):  
Crystal Structure ◽  
Three Dimensional ◽  
Complex Salt ◽  
Water Molecules ◽  
X Ray Diffraction ◽  
Intermolecular Hydrogen Bonds ◽  
Rotation Symmetry ◽  
X Ray ◽  
Dimensional Network ◽  
Distorted Octahedral

The structure of the complex salt,cis-[Cr(NCS)2(cyclam)]2[Cr2O7]·H2O (cyclam = 1,4,8,11-tetraazacyclotetradecane, C10H24N4), has been determined from synchrotron data. The asymmetric unit comprises of one [Cr(NCS)2(cyclam)]+cation, one half of a Cr2O72−anion (completed by inversion symmetry) and one half of a water molecule (completed by twofold rotation symmetry). The CrIIIion is coordinated by the four cyclam N atoms and by two N atoms ofcis-arranged thiocyanate anions, displaying a distorted octahedral coordination sphere. The Cr—N(cyclam) bond lengths are in the range 2.080 (2) to 2.097 (2) Å while the average Cr—N(NCS) bond length is 1.985 (4) Å. The macrocyclic cyclam moiety adopts thecis-V conformation. The bridging O atom of the dichromate anion is disordered around an inversion centre, leading to a bending of the Cr—O—Cr bridging angle [157.7 (3)°]; the anion has a staggered conformation. The crystal structure is stabilized by intermolecular hydrogen bonds involving the cyclam N—H groups and water O—H groups as donor groups, and the O atoms of the Cr2O72−anion and water molecules as acceptor groups, giving rise to a three-dimensional network.

The crystal structure and chemistry of the "red salt" α-trisilver-amidoselenate, Ag3NSeO3

1990 ◽  
Vol 68 (9) ◽  
pp. 1606-1610 ◽  
Author(s):  
Vladimir Kocman ◽  
Jan T. Szymański
Keyword(s):  
Crystal Structure ◽  
Structural Unit ◽  
Three Dimensional ◽  
X Ray Diffraction ◽  
Threefold Axis ◽  
X Ray ◽  
Dimensional Network ◽  
Crystal Structure And Chemistry ◽  
Silver Atoms ◽  
Nitrogen Bond

The crystal structure of the α-modification of the "red salt" of trisilver amidoselenate, Ag3NSeO3 has been determined from MoKα X-ray diffraction data, and refined to R = 3.19% from 337 unique absorption-corrected observed reflections. The structure is rhombohedral, R3c (No. 161), with (hexagonal) a = 8.462(4), c = 11.372(6) Å. The formula unit has point symmetry 3 (C3), with Se and N on the threefold axis, each approximately tetrahedrally coordinated; Se by three oxygen atoms (at 1.651(8) Å and N (at 1.70(2) Å, and N by Se and three silver atoms (at 2.164(8) Å. The bond of 1.70(2) Å between Se and N is particularly short. The Ag3NSeO3 structural unit bridges to three adjacent units via short Ag … O contacts of 2.23(1) Å to form a three-dimensional network. Keywords: trisilver amidoselenate, selenium–nitrogen bond, X-ray structure.

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