Information card for entry 2216751

Structure parameters

• Chemical name: 6-Chloro-N'-[4-(dimethylamino)benzylidene]nicotinohydrazide monohydrate
• Formula: C15 H17 Cl N4 O2
• Calculated formula: C15 H17 Cl N4 O2
• SMILES: Clc1ncc(C(=O)NN=Cc2ccc(N(C)C)cc2)cc1.O
• Title of publication: 6-Chloro-<i>N</i>'-[4-(dimethylamino)benzylidene]nicotinohydrazide monohydrate
• Authors of publication: Feng Zhi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: o4722 - o4722
• a: 18.422 ± 0.004 Å
• b: 7.339 ± 0.0015 Å
• c: 11.797 ± 0.002 Å
• α: 90°
• β: 107.92 ± 0.03°
• γ: 90°
• Cell volume: 1517.6 ± 0.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0959
• Residual factor for significantly intense reflections: 0.0585
• Weighted residual factors for significantly intense reflections: 0.1381
• Weighted residual factors for all reflections included in the refinement: 0.1546
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes