Information card for entry 2220253

Structure parameters

• Chemical name: Ethyl 2-[(<i>E</i>)-4-(dimethylamino)benzylidenehydrazino]-5-nitrobenzoate
• Formula: C18 H20 N4 O4
• Calculated formula: C18 H20 N4 O4
• SMILES: O=N(=O)c1cc(c(N/N=C/c2ccc(N(C)C)cc2)cc1)C(=O)OCC
• Title of publication: Ethyl 2-[(<i>E</i>)-4-(dimethylamino)benzylidenehydrazino]-5-nitrobenzoate
• Authors of publication: Fun, Hoong-Kun; Adhikari, Adithya; Patil, P. S.; Kalluraya, B.; Chantrapromma, Suchada
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 12
• Pages of publication: o2286 - o2287
• a: 10.8216 ± 0.0004 Å
• b: 15.9175 ± 0.0006 Å
• c: 10.4136 ± 0.0004 Å
• α: 90°
• β: 107.091 ± 0.002°
• γ: 90°
• Cell volume: 1714.56 ± 0.11 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 4
• 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: 0.0482
• Residual factor for significantly intense reflections: 0.0383
• Weighted residual factors for significantly intense reflections: 0.0976
• Weighted residual factors for all reflections included in the refinement: 0.1053
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes