Information card for entry 2218951

Structure parameters

• Common name: 4-Chloro-<i>N</i>'-[(<i>Z</i>)-4-(dimethylamino)benzylidene]benzohydrazide monohydrate
• Formula: C16 H18 Cl N3 O2
• Calculated formula: C16 H18 Cl N3 O2
• SMILES: Clc1ccc(cc1)C(=O)N/N=C/c1ccc(N(C)C)cc1.O
• Title of publication: 4-Chloro-<i>N</i>'-[(<i>Z</i>)-4-(dimethylamino)benzylidene]benzohydrazide monohydrate
• Authors of publication: Fun, Hoong-Kun; Patil, P. S.; Jebas, Samuel Robinson; Sujith, K. V.; Kalluraya, B.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 8
• Pages of publication: o1594 - o1595
• a: 6.4418 ± 0.0001 Å
• b: 6.9344 ± 0.0001 Å
• c: 33.8083 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1510.22 ± 0.04 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0723
• Residual factor for significantly intense reflections: 0.0504
• Weighted residual factors for significantly intense reflections: 0.0998
• Weighted residual factors for all reflections included in the refinement: 0.1139
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes