Information card for entry 2204032

Structure parameters

• Chemical name: 2-Chloro-3,4-dimethoxybenzaldehyde (4-nitrophenyl)hydrazone
• Formula: C15 H14 Cl N3 O4
• Calculated formula: C15 H14 Cl N3 O4
• SMILES: Clc1c(/C=N/Nc2ccc(N(=O)=O)cc2)ccc(OC)c1OC
• Title of publication: 2-Chloro-3,4-dimethoxybenzaldehyde (4-nitrophenyl)hydrazone
• Authors of publication: Shang Shan; Xiao-Juan Wang; Wei-Xiao Hu; Duan-Jun Xu
• Journal of publication: Acta Crystallographica, Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 8
• Pages of publication: o1344 - o1346
• a: 16.4537 ± 0.001 Å
• b: 8.1471 ± 0.0011 Å
• c: 14.5814 ± 0.0012 Å
• α: 90°
• β: 127.535 ± 0.012°
• γ: 90°
• Cell volume: 1550 ± 0.4 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.03
• Residual factor for significantly intense reflections: 0.028
• Weighted residual factors for significantly intense reflections: 0.077
• Weighted residual factors for all reflections included in the refinement: 0.078
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No