Information card for entry 2210980

Structure parameters

• Formula: C20 H16 Cl N3 O2
• Calculated formula: C20 H16 Cl N3 O2
• SMILES: Clc1ccccc1COc1ccc(cc1)C=NNC(=O)c1ccncc1
• Title of publication: (<i>E</i>)-<i>N</i>'-[4-(2-Chlorobenzyloxy)benzylidene]isonicotinohydrazide
• Authors of publication: Zhao, Yan-Li; Zhang, Qiao-Zhen; Chen, Xin; Yu, Ming
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 11
• Pages of publication: o4928 - o4929
• a: 5.3454 ± 0.0009 Å
• b: 12.36 ± 0.002 Å
• c: 26.292 ± 0.004 Å
• α: 90°
• β: 94.994 ± 0.003°
• γ: 90°
• Cell volume: 1730.5 ± 0.5 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.076
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.103
• Weighted residual factors for all reflections included in the refinement: 0.118
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes