Information card for entry 2204852

Structure parameters

• Chemical name: 3-[(2-Chlorophenyl)methylenehydrazinocarbonyl]-1H-1,2,4-triazole
• Formula: C10 H8 Cl N5 O
• Calculated formula: C10 H8 Cl N5 O
• SMILES: Clc1c(/C=N/NC(=O)c2nc[nH]n2)cccc1
• Title of publication: 3-[(2-Chlorophenyl)methylenehydrazinocarbonyl]-1<i>H</i>-1,2,4-triazole
• Authors of publication: Fu-You Pan; Jian-Guo Yang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 1
• Pages of publication: o63 - o64
• a: 19.395 ± 0.003 Å
• b: 7.5786 ± 0.0011 Å
• c: 7.393 ± 0.0011 Å
• α: 90°
• β: 98.607 ± 0.003°
• γ: 90°
• Cell volume: 1074.4 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.095
• Residual factor for significantly intense reflections: 0.0597
• Weighted residual factors for significantly intense reflections: 0.1228
• Weighted residual factors for all reflections included in the refinement: 0.1378
• Goodness-of-fit parameter for all reflections included in the refinement: 0.995
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes