Information card for entry 8102427

Structure parameters

• Formula: C15 H10 Cl N3 O5
• Calculated formula: C15 H10 Cl N3 O5
• SMILES: Clc1c(cc(N(=O)=O)cc1)C=NNC(=O)c1cc2OCOc2cc1
• Title of publication: Crystal structure of [3,4]dioxole-N'-(2-chloro-5-nitrobenzylidene)benzohydrazide, C15H10ClN3O5
• Authors of publication: Dao-Xin Wu; Tian Lin; Jiong Sun; Ming-Zhi Huang
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2009
• Journal volume: 224
• Journal issue: 2
• Pages of publication: 229
• a: 4.89 ± 0.002 Å
• b: 10.271 ± 0.002 Å
• c: 14.804 ± 0.003 Å
• α: 96.08 ± 0.03°
• β: 90.56 ± 0.03°
• γ: 90.05 ± 0.03°
• Cell volume: 739.3 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1364
• Residual factor for significantly intense reflections: 0.0596
• Weighted residual factors for significantly intense reflections: 0.1085
• Weighted residual factors for all reflections included in the refinement: 0.1313
• Goodness-of-fit parameter for all reflections included in the refinement: 0.913
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No