Information card for entry 2215987

Structure parameters

• Chemical name: 6-Chloro-N'-(2,4-dichlorobenzylidene)nicotinohydrazide
• Formula: C13 H8 Cl3 N3 O
• Calculated formula: C13 H8 Cl3 N3 O
• SMILES: Clc1c(ccc(Cl)c1)C=NNC(=O)c1ccc(Cl)nc1
• Title of publication: 6-Chloro-<i>N</i>'-(2,4-dichlorobenzylidene)nicotinohydrazide
• Authors of publication: Feng Zhi; Yi-Lin Yang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 11
• Pages of publication: o4471 - o4471
• a: 4.667 ± 0.0009 Å
• b: 12.202 ± 0.002 Å
• c: 12.935 ± 0.003 Å
• α: 106.7 ± 0.03°
• β: 92.36 ± 0.03°
• γ: 96.94 ± 0.03°
• Cell volume: 698.1 ± 0.3 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: 0.2038
• Residual factor for significantly intense reflections: 0.0857
• Weighted residual factors for significantly intense reflections: 0.1431
• Weighted residual factors for all reflections included in the refinement: 0.1898
• Goodness-of-fit parameter for all reflections included in the refinement: 0.965
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes