Information card for entry 2225487

Structure parameters

• Chemical name: <i>N</i>'-[(<i>E</i>)-4-(Diethylamino)benzylidene]-4-nitrobenzohydrazide monohydrate
• Formula: C18 H22 N4 O4
• Calculated formula: C18 H22 N4 O4
• SMILES: O.O=N(=O)c1ccc(cc1)C(=O)N/N=C/c1ccc(N(CC)CC)cc1
• Title of publication: <i>N</i>'-[(<i>E</i>)-4-(Diethylamino)benzylidene]-4-nitrobenzohydrazide monohydrate
• Authors of publication: Ahmad, Tanveer; Zia-ur-Rehman, Muhammad; Siddiqui, Hamid Latif; Rizvi, Syed Umar Farooq; Parvez, Masood
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 4
• Pages of publication: o1007 - o1008
• a: 38.3142 ± 0.0012 Å
• b: 7.4563 ± 0.0003 Å
• c: 12.6332 ± 0.0005 Å
• α: 90°
• β: 98.215 ± 0.002°
• γ: 90°
• Cell volume: 3572 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.079
• Residual factor for significantly intense reflections: 0.059
• Weighted residual factors for significantly intense reflections: 0.122
• Weighted residual factors for all reflections included in the refinement: 0.138
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes