Information card for entry 2231899

Structure parameters

• Chemical name: 4-[2-(4-Chlorophenyl)hydrazinylidene]-3-methyl-1<i>H</i>- pyrazol-5(4<i>H</i>)-one
• Formula: C10 H9 Cl N4 O
• Calculated formula: C10 H9 Cl N4 O
• SMILES: Clc1ccc(N/N=C/2C(=O)NN=C2C)cc1
• Title of publication: 4-[2-(4-Chlorophenyl)hydrazinylidene]-3-methyl-1<i>H</i>-pyrazol-5(4<i>H</i>)-one
• Authors of publication: Fun, Hoong-Kun; Quah, Ching Kheng; Nithinchandra; Kalluraya, Balakrishna
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 10
• Pages of publication: o2670
• a: 15.8496 ± 0.0005 Å
• b: 3.8184 ± 0.0001 Å
• c: 20.3794 ± 0.0006 Å
• α: 90°
• β: 123.575 ± 0.002°
• γ: 90°
• Cell volume: 1027.59 ± 0.06 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0927
• Residual factor for significantly intense reflections: 0.0629
• Weighted residual factors for significantly intense reflections: 0.1244
• Weighted residual factors for all reflections included in the refinement: 0.1345
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes