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Crystallography Reports - The title compound, C13H14BrN3O2, was synthesized by click chemistry (CuAAC) using 4-bromobut-1-yne and ethyl 4-azidobenzoate. Its molecular structure was determined by 1H... 相似文献
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M. Sapnakumari K. Divya K. Singh S. Anthal V. K. Gupta 《Molecular Crystals and Liquid Crystals》2014,605(1):146-154
Ethyl 2-amino-4-(4-fluorophenyl)-6-phenylcyclohexa-1,3-diene-1-carboxylate was synthesized from ethyl 6-(4-bromophenyl)-4-(4-fluorophenyl)-2-oxocyclohex-3-ene-1-carboxylate and ammonium acetate in glacial acetic acid. The synthesized compound was characterized by elemental analysis, FT-IR, thermogravimetric analysis (TGA), differential thermal analysis (DTA), UV-Visible, and single-crystal X-ray diffraction. The title compound, ethyl 2-amino-4-(4-fluorophenyl)-6-phenylcyclohexa-1,3-diene-1-carboxylate, C21H2OFNO2, crystallizes in the orthorhombic space group Pbca with the following unit-cell parameters: a = 17.417(2), b = 9.7287(9), c = 21.014(2) Å, and Z = 8. The crystal structure was solved by direct methods using single-crystal X-ray diffraction data collected at room temperature and refined by full-matrix least-squares procedures to a final R-value of 0.0644 for 1616 observed reflections. An intramolecular N–H…O hydrogen bond generates an S(6) graph-set motif. In the crystal, molecules are linked by N–H…O hydrogen bonds, forming a two-dimensional network. 相似文献
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D. Demus 《Crystal Research and Technology》1988,23(2):216-216
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G. Kühn 《Crystal Research and Technology》1986,21(6):728-728
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Guoyuan Lu Fang Liu Yongjiang Liu Weijiang He Qian Li Longgen Zhu 《Journal of chemical crystallography》1999,29(10):1121-1125
Crystal structure of inclusion complex of 5, 17-di-t-butyl-26, 28-disubstituted calix[4]arene 3 with acetone, [(C54H58N2O6·CH3COCH3)·2CH3COCH3], was determined by X-ray crystallographic analysis. It possesses space group C2/c, with a = 26.277(8), b = 12.967(5), c = 20.355(4) Å, = 124.845(14)°, and D
calc = 1.173 mg/m3 for Z = 4. Crystal data indicate that action of one molecule of compound 3 upon three molecules of acetone forms a clathrate intermolecular inclusion complex. 相似文献
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A. Lsche 《Crystal Research and Technology》1989,24(2):174-174
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A. Griffiths 《Journal of chemical crystallography》1973,3(6):349-356
The crystal and molecular structure of hexahydro-cis-(1-H,4a-H)-1-p-bromophenyl-1H,3H-pyrido[1,2-c][1,3]oxazine, (C14H18BrNO), has been determined from three-dimensional diffractometer data. The space group isP21/c; the unit cell has dimensionsa = 10·682(1),b = 21·606(2),c = 5·856(1) Å, = 90·0 ° (at 20 °C) and contains four molecules. The structure has been refined to a residual (R) of 0·056 using least-squares methods on 1240 independent non-zero reflexions.The molecular geometry and conformation of the bicyclic ring is discussed. 相似文献
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The crystal and molecular structure of hexahydro-cis-(1-H,4a-H)-1-p-bromophenyl-1H,3H-pyrido[1,2-c][1,3]thiazine, (C14H18BrNS), has been determined from three-dimensional diffractometer data. The space group isI41/cd and the unit cell has dimensionsa = 22·906(4),b = 22·906(4),c = 10·646(2) Å withZ = 16. The structure has been refined to a residual of 0·065 using least-squares methods on 1235 independent non-zero reflexions.The molecular geometry and conformation of the bicyclic ring is discussed and compared with the related oxazine compound. 相似文献
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Li Zhang Guan-Cheng Xu Lang Liu Guang-Fei Liu Dian-Zeng Jia 《Journal of chemical crystallography》2008,38(2):151-155
Abstract A new compound 1-phenyl-3-methyl-4-(salicylidene hydrazide)-phenylethylene-pyrazolone-5 (PMPeP-SHZ) has been synthesized and
characterized by elemental analysis, IR spectrum, MS and single crystal X-ray diffraction. The compound crystallizes in a
monoclinic, space group P2(1)/c with cell parameters: a = 10.8275(19) ?, b = 24.689(4) ?, c = 9.7167(16) ? and β = 95.127(4)°, Z = 4, S = 1.097. In the crystal structure, the compound presents in the diketo form. The structure exhibits both intra- and intermolecular
hydrogen bonding and the molecules are interlinked through hydrogen bonds forming an infinite 2D network. The fluorescent
result shows blue emission at room temperature in solid state.
Graphical Abstract
Synthesis, Characterization and Crystal Structure of 1-Phenyl-3- methyl-4-(salicylidene hydrazide)-phenylethylene-pyrazolone-5
Li Zhang, Guan-Cheng Xu, Lang Liu, Guang-Fei Liu, and Dian-Zeng Jia*
Electronic supplementary material The online version of this article (doi:) contains supplementary material, which is available to authorized users. 相似文献