Information card for entry 2237404

Structure parameters

• Chemical name: Diethyl [(2-chloroanilino)(1,3-diphenyl-1<i>H</i>-pyrazol-4-yl)methyl]phosphonate
• Formula: C26 H27 Cl N3 O3 P
• Calculated formula: C26 H27 Cl N3 O3 P
• Title of publication: Diethyl [(2-chloroanilino)(1,3-diphenyl-1<i>H</i>-pyrazol-4-yl)methyl]phosphonate
• Authors of publication: Suresh, G.; Nandakumar, A.; Sabari, V.; Perumal, P. T.; Aravindhan, S.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 2
• Pages of publication: o182
• a: 11.2379 ± 0.0003 Å
• b: 23.7075 ± 0.0006 Å
• c: 9.457 ± 0.0002 Å
• α: 90°
• β: 90.809 ± 0.001°
• γ: 90°
• Cell volume: 2519.31 ± 0.11 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• 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: 0.0605
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.117
• Weighted residual factors for all reflections included in the refinement: 0.1354
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes