共查询到20条相似文献,搜索用时 15 毫秒
1.
He Liu Bo-Hua Zhong Li-Ping Liu Shi-Tian Han 《Journal of chemical crystallography》2004,34(4):265-268
Crystals of 2,3-bis(2-pyridyl)-5,8-dimethoxyquinoxaline (bpdmq) were examined using X-ray diffraction analysis: Monoclinic, space group P2
1/n with a = 6.9362(14) Å, b =17.285(4) Å, c =13.583(3) Å, =96.21(3)°, V =1619.0(6) Å3, Z = 4. The crystal structure indicates that the title compound consists of quinoxaline ring system substituted with two pyridine rings and two methoxy groups. Two pyridine rings form dihedral angles of 39.8 and 44.1° with the mean planar quinoxaline ring, and a dihedral angle of 67.1° with each other. The orientation of the pyridine rings is such that their N atoms face each other. There exist significant – interactions responsible for the formation of the stacks along the a-axis of the crystal packing. 相似文献
2.
Osvaldo Cox Yong J. Li Yan Gao Wigberto J. Hernández 《Journal of chemical crystallography》1993,23(10):825-828
The title compound C20H16N2S is crystallized in the monoclinic space groupP21/c with cell parametersa=10.663(4),b=17.585(9),c=9.418(5)Å,=115.23°(4),V=1598(3)Å3,Z=4. The structure was refined by full-matrix least-squares methods using X-ray data set collected at room temperature. A finalR
F
=0.033 andR
w
=0.048 for 2225 unique reflections withI> 3(I) and 272 variables was obtained. The X-ray crystallographic study establishes theZ stereochemistry of the title compound. 相似文献
3.
The title compound crystallizes in the space group P21/c, with a=21.466(6), b=7.762(3), c=14.481(3)Å, and =107.1(3)°, with two independent molecules in the asymmetric unit, which are quite similar. The phenyl and the pyrazole rings are approximately perpendicular to each other. The longer N—N bond accounts for the cleavage of azides. 相似文献
4.
Gabriel Navarrete-Vázquez Héctor Torres-Gómez Jorge Guerrero-álvarez Hugo Tlahuext 《Journal of chemical crystallography》2011,41(5):732-736
Abstract
The compound ethyl 2-[4-(acetylamino)phenoxy]-2-methylpropanoate (acetamidofibrate) was prepared by reaction of paracetamol with ethyl 2-bromo-2-methylpropionate. It was characterized by elemental analysis, NMR (1H, 13C) spectroscopy, and single-crystal X-ray diffraction. This compound is of interest with respect to its potential bioactivity as analgesic and antidyslipidemic agent. The compound crystallizes in the monoclinic space group P2(1)/c with unit cell dimensions a = 8.2435(8), b = 9.3390(9), c = 18.2823(18) ?, β = 91.123(2)°, V = 1407.2(2) ?3, Z = 4, R 1 = 0.0465, and wR 2 = 0.1055. The crystal structure is stabilized by N–H···O = C and C–H···O hydrogen-bonding interactions that interconnect molecules into chains running along b axis. The preliminary in silico screening shown that title compound could posse’s antidiabetic, anti-inflammatory, hypolipemiant and anti-atherosclerosis effects. 相似文献5.
Jerry L. Atwood Simon G. Bott Rebecca L. Vincent 《Journal of chemical crystallography》1990,20(6):631-633
Ni(NC5H5)3(NO3)2 crystallizes in the triclinic space group P¯1 witha=8.432(2),b=9.993(2),c=12.181(3)Å, =69.78(2),=83.16(2), =67.73(1), andD
c
=1.57 g cm–3 forZ=2. The Ni2+ ion is six-coordinate with one bidentate and one monodentate nitrato ligand. 相似文献
6.
Si-Yang Feng Tao Zheng Ai-Jing Sun Zuo-Xiang Wang 《Molecular Crystals and Liquid Crystals》2019,692(1):43-52
AbstractComplexes of [CdL2(NO3)2]·1.5H2O and [Ag2(μ-L)2(NO3)2] were synthesized by the reactions of 2-p-methylphenyl-5-(2-pyridyl)-1,3,4-thiadiazole (L) with Cd(NO3)2·4H2O and AgNO3, respectively. Their structures were determined by single crystal X-ray diffraction. The photophysical property and thermal stability were characterized by FT???IR, UV???Vis absorption, fluorescence, and thermogravimetric analysis (TGA). Both complexes belong to the triclinic system with space group p???1. The central metal of [CdL2(NO3)2]·1.5H2O has a distorted octahedral geometry [CdN4O2], while two central Ag(I) atoms of [Ag2(μ-L)2(NO3)2] exhibit distorted tetrahedral geometries [AgN3O]. 相似文献
7.
Hanna Małuszyńska Władysław Boczoń Zygmunt Kałuski 《Journal of chemical crystallography》1986,16(5):687-694
The formula of the title compound is C22H30N2,M
T
=322.5; monoclinic:P21,a=7.569(3),b=9.381(1),c=13.684(4) Å,=105.81(2)°,Z=2,V
c
=933.7 Å3,D
x
=1.15 g cm–3,(CuK)=5.1 cm–1. The sparteine skeleton (bis-quinolizidine system) has atrans-trans configuration. RingA has an intermediate form between the sofa and half-chair conformations, ringsB andD-chair, and ringC-boat conformations, respectively. The double bond C(2)=C(3) is equal to 1.343(9) Å. The phenyl ring is planar and makes an angle with a plane through N(1), C(2), C(3), and C(4) atoms equal to 43.9°. 相似文献
8.
J. C. A. Bobyens D. C. Levendis Michael I. Bruce Michael L. Williams 《Journal of chemical crystallography》1986,16(4):519-524
Crystals of osmocene, Os(-C5H5)2, are orthohombic:Pnma,M
r
=321.3,a=7.079(2),b=8.908(1),c=12.771(2),V
c
=806 Å3,Z=4,D
x
=2.640 g cm–3, MoK (=0.71069 Å),=151 cm–1,F(000)=584,T=293 K,R=0.04 for 730 observed reflections. Osmocene is isomorphous with ruthenocene and the molecules have averageD
5h
symmetry with a mean Os-C distance of 2.19(1) Å (compared with 2.186 Å forRu-C).Part 26 of the series Cyclopentadienyl-ruthenium and -osmium chemisty. For Part 25, see Bruce, etal. (1985). 相似文献
9.
10.
Judith L. Flippen-Anderson Peter D'Antonio John H. Konnert 《Journal of chemical crystallography》1984,14(6):565-572
The crystal structures of (E)-5-hydroxypyrrolizidin-3-one (2) and (Z)-5-thioketalpyrrolizidin-3-one (3) have been determined by single-crystal x-ray diffraction techniques and refined by full-matrix least squares. Molecule2 crystallizes in the monoclinic space groupP21/a(No. 14) witha=7.887(3) Å,b=9.788(5) Å,c=9.316(4) Å,=100.6(1), andZ=4. Molecule 3 crystallizes in the monoclinic space groupP21/c witha=12.947(14) Å,b=10.553(14) Å,c=9.629(14) Å,=101.4(1), andZ=4. The calculated density for both molecules is 1.33 g cm–1. FinalR-factors were 5.1% for2 and 8.59% for3. The x-ray results showed that a change in configuration occurred in the reaction going from2 to3. 相似文献
11.
Marek L. Główka Zbigniew J. Kamiński Valerio Bertolasi Gastone Gilli 《Journal of chemical crystallography》1989,19(4):695-700
C12H12N2O6 crystallized from methanol in the monoclinic space group P21/c (Z=4) witha=13.333(4),b=10.154(3),c=9.597(2) Å and=102.37(2)°.M
r=280.24,V=1269.1(6) Å3,D
x=1.466 g cm–3,(Mo K)=0.71069 Å,=1.29 cm–1,T=295 K. The structure was solved by direct methods and refined by full-matrix least-squares to a finalR (R
w)=0.049 (0.057) for 916 observed reflections. The molecules are linked by strong N-HO(4) hydrogen bonds with NO distance of 2.995(4) Å. The infinite racemic chains run in [001] direction. 相似文献
12.
Fei Wu Yong J. Li Osvaldo Cox Wigberto J. Hernandez 《Journal of chemical crystallography》1993,23(8):645-648
The crystal and molecular structure of the title compound (C19H22N2S) has been investigated by single crystal X-ray methods. The crystals are orthorhombic, space groupPbca, with cell dimensions:a=12.082(2)Å,b=11.460(2)Å,c=25.128(4)Å. The structure was solved by direct methods, and refined with 1225 independent reflections by a full-matrix, least-squares procedure, which converged toR=0.042. The benzene and thiazole planes are coplanar and the cyclohexane ring adopts a chair conformation. 相似文献
13.
14.
Colin Hester Russell G. Baughman Harvest Collier 《Journal of chemical crystallography》1996,26(10):695-699
The reaction between cadmium(II) chloride and 2,2'-bi-1H-imidazole (H2biim) in an acidic solution affords [Cd(H3biim)2Cl4] (H3biim=2-(2-1H-imidazolyl)-1H-imidazolium) in 63% yield. The compound crystallizes in the triclinic space groupP1, wherea=8.072(2),b=8.100(2),c=8.593(2) Å, =75.89(2), =62.94(2), =63.29(1)°,V=446.4(2) Å3, andZ=1. The central Cd atom exhibits an octahedral geometry composed of a Cl4N2 core. The Cd-N bond distance is 2.392(2) Å. Cd–Cl distances are 2.5919(9) and 2.671(1) Å. 相似文献
15.
16.
Robin D. Rogers Jerry L. Atwood Don Foust Marvin D. Rausch 《Journal of chemical crystallography》1981,11(5-6):183-188
The crystal structure of vanadocene has been determined from counter data, and refined by full-matrix least-squares techniques. The crystals belong to the monoclinic space groupP21/n witha = 9.269(3),b = 8.020(3),c = 5.892(2) Å, = 91.21(3)°, andD
x = 1.37 gcm-3 for Z = 2. The finalR value for 583 observed reflections is 0.031. The vanadium atom resides on a crystallographic center of inversion. The cyclopentadienyl groups are statistically disordered 70–30%. The average vanadium-carbon (5) bond distance is 2.26(2) Å. 相似文献
17.
Abstract
Two coordination complexes, NiL 2 and CuL 2 {L = bis[1-(furan-2-ylmethylene)-4-phenylthiosemicarbazone]}, were synthesized and determined by X-ray crystallography. Both crystallize in the Orthorhombic system, space group Pbcn, with lattice parameters: a = 11.935 (2) Å, b = 15.314(3) Å, c = 12.952(3) Å and Z = 4 for Ni (II); a = 20.850(4) Å, b = 15.049(3) Å, c = 7.5633(5) Å and Z = 4 for Cu (II). In both complexes, the central metal atom is coordinated in a distorted square-planar with two ligands through two S and N atoms, respectively. The EA, UV, IR and TG-DTG were studied and the possible structures of the complexes were speculated. Moreover, the fluorescence of the complexes were studied. The results reveal that copper complex can emit purple fluorescence in solvents. 相似文献18.
19.
Gabriele Bocelli Gianluca Calestani Corrado Rizzoli 《Journal of chemical crystallography》1990,20(3):217-221
Crystals of the title compound are monoclinic (C26H25NO): space groupP21/c,a=16.565(3),b=10.328(2),c=12.621(3) Å,=104.02(3)°. The structure was solved by direct methods and refined by block-matrix least-squares to giveR=0.056 andR
w
=0.061 for 1613 reflections above 2(I). The amide moiety is tilted by 19.3(2)° with respect to the mean aromatic ring plane. The two othergem phenyl rings subtend a dihedral angle of 112.2(4)° to each other. The molecules are joined in the solid by N-HO hydrogen bonds. 相似文献
20.
The title compound, C8H4N8O4·3H2O, crystallizes in space groupP¯1 with cell constantsa=7.022(1),b=9.507(2),c=10.906(2) Å,=84.99(1),=71.89(1),=72.56(1)°,Z=2, andV
c
=660.2 Å3. The structure was solved by direct methods using diffractometer data and was refined by full-matrix least-squares methods to anR value of 0.060 for 2112 observed reflections. The molecule, consisting of a phenyl ring fused to a pyrazole ring with a tetrazole ring connected to it equatorially, is planar except for the N(7) nitro-group oxygen atoms. The structure is stabilized by a three-dimensional network of O-HO, O-HN, and N-HO hydrogen bonds through the water molecules. 相似文献