Information card for entry 2224703

Structure parameters

• Chemical name: <i>N</i>'-[(<i>E</i>)-2,6-Dichlorobenzylidene]pyrazine-2-carbohydrazide
• Formula: C12 H8 Cl2 N4 O
• Calculated formula: C12 H8 Cl2 N4 O
• SMILES: Clc1c(/C=N/NC(=O)c2nccnc2)c(Cl)ccc1
• Title of publication: <i>N</i>'-[(<i>E</i>)-2,6-Dichlorobenzylidene]pyrazine-2-carbohydrazide
• Authors of publication: Howie, R. Alan; de Souza, Marcus V. N.; Wardell, Solange M. S. V.; Wardell, James L.; Tiekink, Edward R. T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 1
• Pages of publication: o178 - o179
• a: 6.9325 ± 0.0003 Å
• b: 24.5997 ± 0.0013 Å
• c: 7.6136 ± 0.0004 Å
• α: 90°
• β: 111.709 ± 0.003°
• γ: 90°
• Cell volume: 1206.31 ± 0.11 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.062
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.106
• Weighted residual factors for all reflections included in the refinement: 0.112
• Goodness-of-fit parameter for all reflections included in the refinement: 1.14
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes