Synthesis and crystal structure of 2-isocyano-4-methylphenyl diphenylacetate: a rare case of an easily accessible odourless isocyanide

2015 ◽  
Vol 71 (2) ◽  
pp. 155-158 ◽  
Author(s):  
Dina Boyarskaya ◽  
Margarita Avdontceva ◽  
Tatiana Chulkova
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Bond Length ◽  
Triple Bond ◽  
Rare Case ◽  
Synthesis And Crystal Structure ◽  
Space Group ◽  
One Dimensional ◽  
Acidic Hydrogen

Acidic hydrogen containing 2-isocyano-4-methylphenyl diphenylacetate, C22H17NO2, (I), was synthesized by the base-promoted reaction between 5-methylbenzoxazole and diphenylacetyl chloride. Achiral (I) crystallizes in the chiralP212121space group. The C[triple-bond]N bond length is 1.164 (2) Å and the angle between the OCO and 2-isocyano-4-methylphenyl planes is 69.10 (16)°. Molecules are linkedviaC=O...Hphenyland bifurcated N[triple-bond]C...Hphenyl/N[triple-bond]C...Hmethinehydrogen bonds, forming one-dimensional arrays.

Spezielle Alkylammoniumhexachlorometallate, III [1] Synthese und Kristallstruktur von Tris(guanidinium)- hexachlororhodat(III)-monohydrat, [C(NH2)3]3 [RhCl6] · H2O / Alkylammonium Hexachlorometallates, III [1] Synthesis, and Crystal Structure of Tris(guanidinium) Hexachlororhodate(III) Monohydrate, [C(NH2)3]3[RhCl6] · H2O

1996 ◽  
Vol 51 (10) ◽  
pp. 1464-1468 ◽  
Author(s):  
Walter Frank ◽  
Guido J. Reiß
Keyword(s):  
Crystal Structure ◽  
Hydrochloric Acid ◽  
Hydrogen Bonds ◽  
Water Molecule ◽  
Acid Solution ◽  
Hydrochloric Acid Solution ◽  
Guanidine Hydrochloride ◽  
Triclinic Space Group ◽  
Synthesis And Crystal Structure ◽  
Space Group

Tris(guanidinium) hexachlororhodate(III) monohydrate, [C(NH2)3]3[RhCl6] · H2O (1 ) has been obtained by the reaction of rhodium(III) chloride with guanidine hydrochloride in hydrochloric acid solution. 1 crystallizes in the triclinic space group P1̅ (a = 7.6013(9) Å, b = 8.6912(10) Å, c = 15.956(2) Å, α = 93.177(10)°, β = 101.691(10)°, γ = 113.995(9)°, V = 931.8(2), Z = 2). Two crystallographically independent hexachlororhodate ions, three crystallographically independent guanidinium ions and one water molecule are linked by a complex framework of hydrogen bonds.

Tetraammine Tetrafluorido Cerium(IV) Ammonia (1/1), [CeF4(NH3)4] · NH3

2011 ◽  
Vol 66 (8) ◽  
pp. 868-870 ◽  
Author(s):  
Florian Kraus ◽  
Sebastian A. Baer
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Single Crystals ◽  
Synthesis And Crystal Structure ◽  
Ammine Complex ◽  
Space Group ◽  
Cerium Fluoride

The synthesis and crystal structure of the first ammine complex of a cerium fluoride, tetraammine tetrafluorido cerium(IV) ammonia (1/1), [CeF4(NH3)4] ・NH3, are presented. The compound crystallizes in the form of colorless, block-shaped single crystals in the tetragonal space group P4/ncc with a = 9.03215(9), c = 10.96404(17) Å , V = 894.443(19) Å3, and Z = 4. The compound contains discrete [CeF4(NH3)4] molecules interconnected by N-H···F hydrogen bonds.

Molybdännitridtrichlorid-2,3,3-trichloracrylnitril, [MoNCI3 · NC-C2Cl3]2 Synthese, IR-Spektrum und Kristallstruktur / Molybdenumnitridetrichloride-2,3,3-trichloroacrylnitrile, [MoNCl3 · NC—C2Cl3]2 Synthesis, IR Spectrum, and Crystal Structure

1988 ◽  
Vol 43 (12) ◽  
pp. 1616-1620 ◽  
Author(s):  
Abderraouf Khabou ◽  
Kurt Dehnicke
Keyword(s):  
Crystal Structure ◽  
Nitrogen Atom ◽  
Bond Length ◽  
Structure Determination ◽  
Ir Spectrum ◽  
Triple Bond ◽  
Crystal Data ◽  
Space Group ◽  
Bond Lengths ◽  
Trans Influence

Abstract [MONCl3 · NC - C2Cl3]2 has been prepared by the reaction of MONCl3 with trichloromethyl isocyanidedichloride, CCl3NCCl2 , in CH2Cl2 suspension. The compound forms redbrown. mois-ture sensitive crystals, which were characterized by their IR spectrum as well as by a crystal structure determination (2482 independent observed reflexions, R = 0.048). Crystal data (-70 °C): Space group P21/c, Z = 2, a = 674.2(2); b = 2128.2(11); c = 786.0(4) pm: β = 102.81(3)°. [MONCl3 • NC-C2Cl3]2 forms centrosymmetric dimeric molecules via chloro bridges with Mo-Cl bond lengths of 240.7 and 276.0 pm. The longer MoCl bond of the MOCl2MO ring is caused by the trans influence of the nitride ligand; the MoN bond length of 167 pm corresponds with a triple bond. The 2,3,3-trichloroacrylnitrile ligand is bonded by its nitrogen atom with a bond length of Mo -N = 216 pm; the Mo-N≡C-C sequence is almost linear with a remarkable short C-C bond of 143.0 pm.

Synthesis and Crystal Structure of M([12]crown-4)2O3 · 1.5 NH3 with M = K, Rb

2009 ◽  
Vol 64 (11-12) ◽  
pp. 1325-1328 ◽  
Author(s):  
Hanne Nuss ◽  
Martin Jansen
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Alkali Metal ◽  
Liquid Ammonia ◽  
Unit Cell ◽  
Temperature Sensitive ◽  
Synthesis And Crystal Structure ◽  
Space Group ◽  
M 12 ◽  
K 12

The two new ozonide compounds K([12]crown-4)2O3 ・ 1.5 NH3 (1) and Rb([12]crown-4)2O3 ・ 1.5 NH3 (2) were synthesized from the binary alkali metal ozonides and [12]crown-4 in liquid ammonia. The air- and temperature-sensitive red, needle-shaped compounds crystallize isostructurally in the non-centrosymmetric space group Fdd2 (no. 43) with 16 formula units per unit cell. The lattice parameters are a = 26.917(8), b = 43.25(1), c = 7.823(2) Å, V = 9108(5) Å3; and a = 26.730(6), b = 44.70(1), c = 7.739(2) Å, V = 9245(4) Å3 for 1 and 2, respectively. The structure comprises rod-like [([M([12]crown-4)2(NH3)]O3)2(NH3)] supramolecular units, forming a fishbone pattern parallel to (001). The ozonide anions are separated from the metal cations and interact only weakly with two ammonia molecules via N-H・ ・ ・O hydrogen bonds

Synthese und Kristallstruktur von Bis(m-aminobenzonitril)- diquecksilber(I)-dinitrat/Synthesis and Crystal Structure of Bis(m-aminobenzonitrile)dimercury(I)-dinitrate

1992 ◽  
Vol 47 (4) ◽  
pp. 460-464 ◽  
Author(s):  
Klaus Brodersen ◽  
Jürgen Hofmann
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Single Crystal ◽  
Amino Nitrogen ◽  
X Ray Diffraction ◽  
Triclinic Space Group ◽  
Synthesis And Crystal Structure ◽  
Space Group ◽  
X Ray

The structure of bis(m-aminobenzonitrile)dimercury(I) dinitrate, [Hg2(m -NH2C6H4CN)2](NO3)2 has been determined by single crystal X-ray diffraction techniques and refined to an Rw-value of 0.022. The crystals are triclinic, space group P1 with a = 5.4878(1) Å, b = 8.4085(1) Å, c = 9.6062(1) Å, α = 92.599(3)°, β = 94.763(3)°, γ = 89.614(3)° and Z = 1.The Hg22+-ion [Hg-Hg 2.524(1) Å] is approximately axially coordinated to amino nitrogen atoms [Hg - N 2.209(4) Å, Hg - Hg - N 169.5(3)°]. Additional amino hydrogen bonds to oxygen are building chains along the b-axis containing units of L - Hg - Hg - L groups.

Die Kristallstruktur von Bis-[methylammonium]-hexafluorosilikat, (MeNH3)2SiF6 / The Crystal Structure of Bis-[methylammonium]-hexafluorosilicate, (MeNH3)2SiF6

2002 ◽  
Vol 57 (9) ◽  
pp. 1003-1007 ◽  
Author(s):  
Jens Graulich ◽  
Dietrich Babel
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Single Crystal ◽  
Bond Length ◽  
Structure Determination ◽  
Average Bond Length ◽  
Space Group ◽  
X Ray ◽  
Average Bond

The results of a single crystal X-ray structure determination of monoclinic (MeNH3)2SiF6 are reported: a = 962.3(5), b = 964.4(1), c = 966.4(5) pm, " = 100.03(3)°; V = 883.2(7) Å3, Z = 4, space group C2/c; wR2 = 0.0999 based on F02 of 1291 independent reflections (including H refinement without restrictions). The structure is related to that of (NH4)2SiF6, but contains the dumb-bells of the cations well oriented along the greater cell diagonals and fixed by one nearly linear and two bi-furcated hydrogen bonds (N...F: 281 and 293 - 305 pm, resp.). The [SiF6]2- octahedron is nearly undistorted with average bond length Si-F: 167.7 pm (169.9 pm corrected for thermal motion)

Darstellung und Kristallstruktur von [OsFPy5][BF4] · H2O · CH2Cl2/Synthesis and Crystal Structure of [OsFPy5][BF4] · H2O · CH2Cl2

1999 ◽  
Vol 54 (1) ◽  
pp. 54-56
Author(s):  
S. Kolf ◽  
W. Preetz
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Bond Length ◽  
Main Product ◽  
Orthorhombic Space Group ◽  
Synthesis And Crystal Structure ◽  
Space Group ◽  
X Ray ◽  
Trans Influence

In the reaction of K2[OsF6] with glycerine and pyridine [OsFPy5]+ (5%) is formed as a byproduct which can be separated chromatographically from the main product frans-[OsF2Py4]. The X-Ray structure has been determined on a single crystal of [OsFPy5][BF4] · H2O CH2Cl2 (orthorhombic, space group Pbca, a = 18.774(5), b = 16.833(3), c = 20.924(6) Å. Z = 8). Due to theo stronger trans influence of pyridine as compared to fluorine the Os-N' bond length of 2.06 Å in the F•-Os-N' axis is shorter than the Os-N distances of the OsPy4 base ranging from 2.07 to 2.10 Å.

Synthese und Kristallstruklur von Triblei-Diphosphato-Borat-Phosphat, eine Verbindung mit einem 1∞[(PO4)2BPO4]6–-Anion / Synthesis and Crystal Structure of Trilead-Diphosphato-Borate-Phosphate, a Compound with a 1∞[(PO4)2BPO4]6–-Anion

1995 ◽  
Vol 50 (11) ◽  
pp. 1617-1622 ◽  
Author(s):  
C. H. Park ◽  
K. Bluhm
Keyword(s):  
Crystal Structure ◽  
Single Crystals ◽  
Synthesis And Crystal Structure ◽  
Space Group ◽  
One Dimensional ◽  
X Ray

Single crystals of Pb3[(PO4)2BPO4] were obtained by melting B2O3, P2O3 and PbO at 960 °C. The structure is related to the Ba3[(PO4)2BPO4] type. X-ray investigations on single crystals led to the space group Pbca - D152h (Nr. 61) with a = 694.6(1), b = 1419.9(3), c = 2111.6(2) pm, Z = 8 . Boron and phosphorus are tetrahedrally coordinated by oxygen. The polyhedra form one-dimensional infinite helices that contain two additional PO4 groups connected to the BO4-unit. Lead is eightfold coordinated by oxygen. The relation to the crystal structure of Ba3[(PO4)2BPO4] is discussed.

scholarly journals Crystal structure of diaqua[5,10,15,20-tetrakis(4-methoxyphenyl)porphyrinato-κ4N]iron(III) diaqua(18-crown-6)potassium bis(trifluoromethanesulfonate)–18-crown-6 (1/2)

2015 ◽  
Vol 71 (12) ◽  
pp. m215-m216
Author(s):  
Leila Ben Haj Hassen ◽  
Zouhour Denden ◽  
Yoann Rousselin ◽  
Habib Nasri
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Bond Length ◽  
High Spin ◽  
Title Compound ◽  
Crystal Packing ◽  
Water Molecules ◽  
Supramolecular Architecture ◽  
One Dimensional ◽  
Phenyl Rings

In the title compound, [FeIII(C48H36N4O2)(H2O)2][K(C12H24O6)(H2O)2](SO3CF3)2·2C12H24O6, the FeIIIatom is situated on an inversion centre and is octahedrally coordinated by four pyrrole N atoms of the deprotenated 5,10,15,20-tetrakis(4-methoxyphenyl)porphyrinate ligand and two water molecules. The average equatorial Fe—N(pyrrole) bond length [2.043 (6) Å] is consistent with a high-spin (S= 5/2) iron(III) metalloporphyrin derivative. The K+cation, which also lies on an inversion centre, is chelated by the six O atoms of one 18-crown-6 molecule and is additionally coordinated by two water molecules in a distorted hexagonal–bipyramidal geometry. In the crystal, the cations, anions and one non-coordinating 18-crown-6 molecule are linked by classical O—H...O hydrogen bonds and non-conventional C—H...O hydrogen bonds, leading to a one-dimensional supramolecular architecture along [10-1]. The crystal packing is further stabilized by weak C—H...π interactions involving pyrrole and phenyl rings of the porphyrins, as well as weak C—H...F contacts involving the (SO3CF3)−counter-ion and the 18-crown-6 molecules.

Synthesis and Crystal Structure of 17-Allyl-4,5-anhydro-7α-[(R)-1-hydroxy-1-methyl-3-(2-thienyl)propyl]-6-methoxy-6,14-ethanomorphinan-3,4,5-triol

2005 ◽  
Vol 70 (2) ◽  
pp. 237-246
Author(s):  
He Liu ◽  
Jingyan Wang ◽  
Bohua Zhong
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Nmr Spectra ◽  
Chain Structure ◽  
Equatorial Position ◽  
Dimensional Chain ◽  
X Ray Diffraction ◽  
Synthesis And Crystal Structure ◽  
One Dimensional ◽  
X Ray

17-Allyl-4,5-anhydro-7α-[(R)-1-hydroxy-1-methyl-3-(2-thienyl)propyl]-6-methoxy-6,14-ethanomorphinan-3,4,5-triol (thienorphine 6) was synthesized and structurally characterized by NMR spectra, ESI-MS and X-ray diffraction. The crystal structure indicates that thienorphine maintained the main rigid structure of morphine while containing the C6-C14 ethano bridge. The allyl group is located in the equatorial position as expected. The packing diagram of 6 showed the presence of intramolecular and intermolecular O-H···O hydrogen bonds linking the molecules into a zigzag infinite quasi-one-dimensional chain structure.

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