Crystal and molecular structure of 2-hydroxy-5-methylphenyl cyclohexyl ketone

Physicotechnical Institute, Academy of Sciences of the Tadzhik SSR. Institute of Inorganic Chemistry, Siberian Branch, Academy of Sciences of the USSR. Translated from Zhurnal Strukturnoi Khimii, Vol. 31, No. 5, pp. 152–155, September–October, 1990.     

Crystal and molecular structure of 1,3-di(2,2,6,6-tetramethyl-1-oxyl-4-carbpiperidyloxy)Adamantane

Translated from Zhurnal Strukturnoi Khimii, Vol. 32, No. 5, pp. 150–153, September–October 1991.     

Crystal and molecular structure of 3-hydroxy-5-phenylisoxazole (α form)

The crystal structure of the α form of 3-hydroxy-5-phenylisoxazole has been determined from three-dimensional X-ray data. The crystals are monoclinic, space group P2₁/n with four molecules in the unit cell. The cell dimensions are: a = 10.41(2); b = 3.89(1); c = 19.14(4) Å; β = 96.1° (3). The structure was refined by the block-diagonal least-squares method to a final R value of 0.080 for 1111 observed reflections. The molecular dimensions are in good overall agreement with those in β form, while the packing is markedly different. Conjugation and planarity in the molecule are discussed.     

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.     

Crystal and molecular structures of 2,4-diacetyl-5-hydroxy-5-methyl-3-phenyl-N-benzyl-1-cyclohexenylamine

2,4-Diacetyl-5-hydroxy-5-methyl-3-phenyl-N-benzyl-1-cyclohexenylamine is obtained by benzylamination of 2,4-diacetyl-5-hydroxy-5-methyl-3-phenylcyclohexanone. Based on spectral and X-ray structural data, the half-chair conformation of the cyclohexenyl ring and the pseudoequatorial orientation of all substituents, except for the pseudoaxial OH-group, are established. An intramolecular hydrogen bond N-H...O=C is revealed.     

Crystal and molecular structure of β-hydroxy-γ-trichlorobutyric acid

Journal of Structural Chemistry -     

Crystal and molecular structure of 1-phenyl-2-nitroguanidine

The molecular structure of 1-phenyl-2-nitroguanidine is nonplanar, but contains two almost planar fragments: nitroguanyl and phenyl groups. Unlike previously studied nitroguanidines, in 1-phenyl-2-nitroguanidine, the nitro group is turned to the secondary amino group. However, the structural parameters of the nitroguanyl group are little different from those of nitroguanidine and its alkyl derivatives. In the benzene ring, the symmetry in the geometric parameters is not observed, which is explained by the intermolecular interaction with the neighboring molecule.     

Crystal structure of bis[2,2,5,5-tetramethyl-3-imidazoline-1-oxyl-4-(1′-propenyl-2′-oxyato)]nickel(II), Ni(C10H16N2O2)2

Institute of Inorganic Chemistry, Siberian Branch, Russian Academy of Sciences. Translated from Zhurnal Strukturnoi Khimii, Vol. 33, No. 2, pp. 112–117, March–April, 1992.     

Crystal structure of the 2-hydroxy-3,3,4-trimethyl-2-oxo-5-cyanimino-1, 4,2-diazaphospholidine diethylammonium salt

Crystal structure of the 2-hydroxy-3,3,4-trimethyl-2-oxo-5-cyanimino-1,4,2-diazaphospholidine diethylammonium salt (I) was studied by X-ray diffraction analysis: space group P2₁/c, a=9.773(1), b=12.7617(8), c=12.064(2) Å, β=95.02(1)°, Z=4; R=0.041 (CAD-4 automatic diffractometer, λCuK_α, 2518 independent reflections with I≥3δ). In anion I, the P atom (forming two Pō sesquibonds) has a considerably distorted tetrahedral coordination. In the extended flattened molecular fragment of anion I involving 7 atoms [P?N?C(?N)=N?C≡N], the π-electron densities of the atoms are conjugated. The five-membered heterocycle of anion I has a distorted P,C₃-half-chair conformation. The crystal structure of compound I has interionic hydrogen bonds linking anions I into centrosymmetric H-dimers and also linking anions I and Et₂NH ₂ ⁺ into centrosymmetric H-tetramers.     

Acyl chlorides of 2,2,5,5-tetramethyl-3-imidazolin-1-oxyl-4-0-acylhydroximic acids

Acylation of nitroenamine derivatives of imidazolidin-1-oxyl with carboxylic acid chlorides leads to 0-acylhydroximic acid chloride derivatives of 3-imidazolin-1-oxyl. The reaction proceeds apparently through a nitrile oxide. It was shown for the 0-benzoyl derivative that reaction of the obtained acyl chlorides with nucleophilic reagents usually gives products of chlorine atom substitution with simultaneous cleavage of the acyl group.Translated from Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya, No. 2, pp. 444–450, February, 1991.