Information card for entry 2210904

Structure parameters

• Chemical name: N'-(2-Chlorobenzylidene)pyrazine-2-carbohydrazide
• Formula: C12 H9 Cl N4 O
• Calculated formula: C12 H9 Cl N4 O
• SMILES: Clc1c(/C=N/NC(=O)c2nccnc2)cccc1
• Title of publication: <i>N</i>'-(2-Chlorobenzylidene)pyrazine-2-carbohydrazide
• Authors of publication: Xue-Fang Shi; Cui-Cui Yuan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 11
• Pages of publication: o5232 - o5233
• a: 6.7912 ± 0.0012 Å
• b: 3.8852 ± 0.0008 Å
• c: 22.113 ± 0.004 Å
• α: 90°
• β: 95.999 ± 0.009°
• γ: 90°
• Cell volume: 580.26 ± 0.19 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 n 1
• Hall space group symbol: P -2yac
• Residual factor for all reflections: 0.0561
• Residual factor for significantly intense reflections: 0.0421
• Weighted residual factors for significantly intense reflections: 0.1223
• Weighted residual factors for all reflections included in the refinement: 0.1645
• Goodness-of-fit parameter for all reflections included in the refinement: 0.995
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes