Crystal and molecular structure of 2-chlorophenoxyacetyl-4-isopropylbenzene

Institute of Crystallography, Academy of Sciences of the USSR. Physicotechnical Institute, Academy of Sciences of the Tadzhik SSR. Translated from Zhurnal Strukturnoi Khimii, Vol. 31, No. 3, pp. 156–159, May–June, 1990.     

Crystal and molecular structure of 2-methylamino-4-thiazolinone

Conclusions An x-ray diffraction structural analysis showed that 2-methylamino-4-thiazolinone in the crystal exists as the amine tautomer and forms centrosymmetric dimers due to N²-H(N²)...N¹ hydrogen bonds. An intermolecular S...O' contact is found in the direction close to the extension of the S-C¹ bond. The methyl group is in the s-cis position relative to the sulfur atom. Significant -electron delocalization is found over the Translated from Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya, No. 2, pp. 344–347, February, 1987.     

Crystal and molecular structure ofN-phenyl-4-nitrobenzamidoxime

N-Phenyl-4-nitrobenzamidoxime has been studied by X-ray structural analysis. In two crystallographically independent molecules1A and1B, amidoxime groups adopt a planarZ configuration, and these fragments are in ans-trans conformation with respect to the =N-O and C-N(H) bonds; an intramolecular NH...O bond occurs. The nitrophenyl and phenyl groups are rotated with respect to the amidoxime plane [ONCN] by –57 and –32° in1A and –38 and –22° in1B, respectively. The rotation of the fragments about the C(1)-N(2) bond is –28 (1A) and –35° (1B). In crystals, molecules1A and1B are linked in oxime dimers through two intermolecular =N...(HO) hydrogen bonds; dimers form double chains through two NH...(O₂N) hydrogen bonds.Translated fromIzvestiya Akademii Nauk. Seriya Khimicheskaya, No. 8, pp. 1516–1519, August, 1995.The work was supported by the Russian Foundation for Basic Research (Project No. 93-03-05069).     

Crystal and molecular structure of Dicyanotetrasulfane S4(CN)2

S₄(CN)₂ crystallizes in the monoclinic space group P2₁/c with a = 885.7 pm, b = 794.2 pm, c = 1032.6 pm, β = 109.0° (at 173 K). The molecules occupy general sites but are of approximate C₂ symmetry. The conformation of the molecules is all-trans with torsional angles CSSS = 74.6° and 81.7° and SSSS = 84.8°. The central SS bond (201.7 pm) is much shorter than the terminal SS bonds (av. 206.8 pm). There are no stronger than van-der-Waals type intermolecular interactions.     

Crystal and molecular structure of 2-methylbenzimidazole

All-Union Scientific-Research Institute for Chemical Reagents and Ultrapure Substances. Translated from Zhurnal Strukturnoi Khimii, Vol. 32, No. 3, pp. 121–122, May–June, 1991.     

Crystal and molecular structure of 2-ferrocenyl-2-propanol

The crystal and molecular structure of 2-ferrocenyl-2-propanol is studied by means of physicochemical methods. The compound crystallizes in the form of three crystallographically independent molecules with slightly different conformations. Crystals are monoclinic, C₁₃H₁₆FeO: a = 6.2687(7) Å, b = 36.614(4) Å, c = 15.291(2) Å; β = 97.86(2)°; V = 3477.2(7) ų, Z = 12, d x = 1.396 g/cm³, P2₁/n space group. The molecule consists of the ferrocene fragment and the isopropyl carbinol substituent.     

Crystal and molecular structure of 4-chloro-7-diethylaminocoumarin

An x-ray study of 4-chloro-7-diethylaminocoumarin was carried out. The introduction of an electron-withdrawing substituent at C⁴ leads to localization of the double bond in the pyran ring and equalization of the bond lengths in the benzene ring.A. N. Nesmeyanov Institute of Organometallic Compounds, Russian Academy of Sciences, 117813 Moscow. K. A. Timiryazev All-Union Agricultural Academy, 127550 Moscow. Translated from Izvestiya Akademii Nauk, Seriya Khimicheskaya, No. 2, pp. 445–448, February, 1992.     

Crystal and molecular structure of (BEDT-TTF)4Cd2I6

The new radical-cation salt (BEDT-TTF)₄Cd₂I₆ has been studied by x-ray diffraction (a=19.284(6), b=12.84(1), c=7.869 (2) Å; α=72.77(4), β=94.44(2), γ= 103.97(3)^o, space group P1, Z=1, d_calc=2.32 g/cm³). The radical cation (BEDT-TTF)^1/2+ and the Cd₂I₆ ^2? anions form organic and inorganic layers alternating along the a axis. In the organic layer, (BEDT-TTF)^1/2+ are arranged in stacks and ribbons. The radical-cations in the ribbon are packed “side to side” and are joined to one another through shortened intermolecular contacts S...S 3.346(5)-3.657(4) Å. The Cd₂I₆ ^2? anion is dimeric. The Cd atom has a distorted tetrahedral bond configuration, with bond lengths Cd-I 2.722(l)-2.886(1) Å and valence angles I-Cd-I 93.8(1)-114.1(1)°.     

Crystal and molecular structure of 2-chloro-1-methyl-4-phenyl-α-carboline hydrochloride

A compound with the composition C₁₈H₁₆Cl₂ON₂ was subjected to an x-ray diffraction study. All of the rings in themolecule are planar. Both of the six-membered rings of the carboline system are inclined slightly and identically with respect to the central pyrrole ring, forming angles of 3 ° with it and 6 ° with one another. The phenyl ring is turned at an angle of 52.7 ° relative to the average plane of the carboline system.Translated from Khimiya Geterotsiklicheskikh Soedinenii, No. 6, pp, 779–782, June, 1984.     

Crystal and molecular structure of benzoaza-12-crown-4 hydrochloride

Journal of Structural Chemistry - The X-ray crystallographic analysis of benzoaza-12-crown-4 hydrochloride crystals is performed for the first time: space group P1, a = 7.7497(4) Å, b =...     

Crystal and molecular structure of 2-benzoly-5-phenylpyrrole

An x-ray diffraction investigation of 2-benzoyl-5-phenylpyrrole, whose molecules are combined as dimers in the crystal, has been carried out. The bond lengths and angles have been presented.Translated from Khimiya Geterotsiklicheskikh Soedinenii, No. 10, pp. 1355–1358, October, 1984.