Information card for entry 2219637

Structure parameters

• Common name: 4-chloro-N'-{(1Z)-[4-(dimethylamino)phenyl] methylene}4-nitrobenzohydrazide
• Chemical name: N'-[(<i>Z</i>)-4-(Dimethylamino)benzylene]-4-nitrobenzohydrazide monohydrate
• Formula: C16 H18 N4 O4
• Calculated formula: C16 H18 N4 O4
• SMILES: O=C(N/N=C/c1ccc(N(C)C)cc1)c1ccc(N(=O)=O)cc1.O
• Title of publication: <i>N</i>'-[(<i>Z</i>)-4-(Dimethylamino)benzylidene]-4-nitrobenzohydrazide monohydrate
• Authors of publication: Fun, Hoong-Kun; Jebas, Samuel Robinson; Sujith, K. V.; Patil, P. S.; Kalluraya, B.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 10
• Pages of publication: o1907 - o1908
• a: 6.5866 ± 0.0002 Å
• b: 7.1337 ± 0.0002 Å
• c: 34.4059 ± 0.0012 Å
• α: 92.113 ± 0.002°
• β: 90.918 ± 0.002°
• γ: 107.816 ± 0.001°
• Cell volume: 1537.42 ± 0.08 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.062
• Residual factor for significantly intense reflections: 0.0481
• Weighted residual factors for significantly intense reflections: 0.1423
• Weighted residual factors for all reflections included in the refinement: 0.1553
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes