Information card for entry 2235524

Structure parameters

• Chemical name: <i>N</i>'-[(<i>E</i>)-4-Chlorobenzylidene]pyridine-4-carbohydrazide monohydrate
• Formula: C13 H12 Cl N3 O2
• Calculated formula: C13 H12 Cl N3 O2
• SMILES: Clc1ccc(/C=N/NC(=O)c2ccncc2)cc1.O
• Title of publication: <i>N</i>'-[(<i>E</i>)-4-Chlorobenzylidene]pyridine-4-carbohydrazide monohydrate
• Authors of publication: Fun, Hoong-Kun; Loh, Wan-Sin; Shetty, Divya N.; Narayana, B.; Sarojini, B. K.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 7
• Pages of publication: o2303 - o2304
• a: 14.1645 ± 0.0007 Å
• b: 14.6276 ± 0.0007 Å
• c: 14.0817 ± 0.0007 Å
• α: 90°
• β: 119.22 ± 0.002°
• γ: 90°
• Cell volume: 2546.4 ± 0.2 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.0798
• Residual factor for significantly intense reflections: 0.0707
• Weighted residual factors for significantly intense reflections: 0.187
• Weighted residual factors for all reflections included in the refinement: 0.2048
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes