Information card for entry 2210995

Structure parameters

• Formula: C20 H16 Cl N3 O2
• Calculated formula: C20 H16 Cl N3 O2
• SMILES: Clc1ccc(cc1)COc1ccccc1C=NNC(=O)c1ccncc1
• Title of publication: (<i>E</i>)-<i>N</i>'-[2-(4-Chlorobenzyloxy)benzylidene]isonicotinohydrazide
• Authors of publication: Zhang, Qiao-Zhen; Zhao, Yan-Li; Chen, Xin; Yu, Ming
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 11
• Pages of publication: o4835 - o4836
• a: 10.212 ± 0.002 Å
• b: 9.696 ± 0.002 Å
• c: 36.927 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3656.3 ± 1.3 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.102
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for significantly intense reflections: 0.1131
• Weighted residual factors for all reflections included in the refinement: 0.1384
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes