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 5,5-dichlormethyl-2-phenyl-1,3-dioxane

All-Union Scientific-Research Institute of Chemical Reagents and Ultrapure Chemical Substances. Ufa Petroleum Institute. Translated from Zhurnal Strukturnoi Khimii, Vol. 29, No. 4, pp. 149–153, July–August, 1988.     

Crystal and molecular structure of 2-acetyl-4-phenyl-5-benzyl-piperidino-5H-1,3,4-selenadiazole

Lensovet Leningrad Technological Institute and A. N. Nesmeyanov Institute of Organometallic Compounds, Russian Academy of Sciences, Moscow. Translated from Zhurnal Strukturnoi Khimii, Vol. 33, No. 2, pp. 180–182, March–April, 1992.     

Crystal and molecular structures of cis-1-phenyl-3-piperidinocyclohexan-1-ol hydrochloride

Mr = 295.84, triclinic, Pl, a = 6.786(1), b = 7.658(1), c = 8.561(1) Å, α = 108.17(1), β = 97.94(1), γ = 103.32(2)°, V = 400.6 ų, Z = 1,D_m = 1.23, D_x = 1.226 Mgm^?3, δ(Cu Kα) = 1.5418 Å, μ = 20.81 cm^?1, F(000) = 160. The structure has been solved by direct and Fourier methods and refined by a least-squares procedure to the final R = 0.043 for 1182 observed reflections (|F_o] >3σ(F_o)). cis-1-Phenyl-3-piperidinocyclohexan-1-ol possessing 1,3-diaxial positions between the piperidine and hydroxyl groups is converted to the isomer with 1,3-diequatorial positions in its hydrochloride. The hydrogen bond is formed between the chloride anion and the protonated nitrogen atom of piperidine instead of the intramolecular hydrogen bond in the free cis-base between the oxygen and nitrogen atoms.     

Crystal and molecular structure of 2-(p-ethoxybenzylidene)-3-phenyl-5-ethoxycarbonyl-1,3,4-selenadiazoline

Leningrad Technological Institute and Institute of Heteroorganic Compounds. Translated from Zhurnal Strukturnoi Khimii, Vol. 33, No. 5, pp. 147–149, September–October, 1992.     

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 structure of lithium 1-phenyl-4,4-difluoro-1,3-butadionate

The crystal structure of lithium 1-phenyl-4,4-difluoro-1,3-butadionate composed of-O-Li-O-bond chains was determined by XRD. In these chains, the lithium atoms, tetrahedrally coordinated with oxygen, alternate with square-bipyramidal units containing four Li-O bonds and two weak Li-F interactions.     

Crystal and molecular structure of cyclic sulfoxides: 2-cyano-2-ethoxycarbonyl-3,6-dihydro-4,5-dimethyl-2H-thiapyran 1-oxide and 2-phenyl-2-methoxycarbonyl-3,6-dihydro-2H-thiapyran 1-oxide

Crystal and molecular structures of the title compounds 1b and 1c have been determined by the X-ray method. Crystals of 1b are monoclinic, space group P2₁/c, and crystals of 1c are orthorhombic, space group P2₁2₁2₁. The sulfinyl oxygen atom and the alkoxycarbonyl group in both compounds are trans oriented, and the six-membered rings adopt a sofa conformation. The differences between conformation, bond lengths, and angles in the compounds investigated are discussed. © John Wiley & Sons, Inc.     

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.