Information card for entry 2232204

Structure parameters

• Chemical name: 5-Chloro-1,3-dimethyl-1<i>H</i>-pyrazole-4-carbaldehyde
• Formula: C6 H7 Cl N2 O
• Calculated formula: C6 H7 Cl N2 O
• Title of publication: 5-Chloro-1,3-dimethyl-1<i>H</i>-pyrazole-4-carbaldehyde
• Authors of publication: Shen, Yong-Jun; Xu, Mei; Fan, Chong-Guang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 11
• Pages of publication: o2936
• a: 13.167 ± 0.009 Å
• b: 6.463 ± 0.005 Å
• c: 8.19 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 697 ± 0.9 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0311
• Residual factor for significantly intense reflections: 0.0272
• Weighted residual factors for significantly intense reflections: 0.08
• Weighted residual factors for all reflections included in the refinement: 0.0814
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes