Information card for entry 2219342

Structure parameters

• Chemical name: 4-Chloro-<i>N</i>'-[(<i>Z</i>)-4-nitrobenzylidene]benzohydrazide monohydrate
• Formula: C14 H12 Cl N3 O4
• Calculated formula: C14 H12 Cl N3 O4
• SMILES: Clc1ccc(cc1)C(=O)N/N=C/c1ccc(N(=O)=O)cc1.O
• Title of publication: 4-Chloro-<i>N</i>'-[(<i>Z</i>)-4-nitrobenzylidene]benzohydrazide monohydrate
• Authors of publication: Fun, Hoong-Kun; Patil, P. S.; Rao, Jyothi N.; Kalluraya, B.; Chantrapromma, Suchada
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 9
• Pages of publication: o1707
• a: 16.3049 ± 0.0008 Å
• b: 6.8783 ± 0.0004 Å
• c: 12.7209 ± 0.0007 Å
• α: 90°
• β: 104.122 ± 0.004°
• γ: 90°
• Cell volume: 1383.53 ± 0.13 ų
• Cell temperature: 100 ± 0.1 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: 0.0994
• Residual factor for significantly intense reflections: 0.0855
• Weighted residual factors for significantly intense reflections: 0.2333
• Weighted residual factors for all reflections included in the refinement: 0.2391
• Goodness-of-fit parameter for all reflections included in the refinement: 1.131
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes