Information card for entry 2234537

Structure parameters

• Chemical name: Diethyl [(2-bromoanilino)(1,3-diphenyl-1<i>H</i>-pyrazol-4-yl)methyl]phosphonate
• Formula: C26 H27 Br N3 O3 P
• Calculated formula: C26 H27 Br N3 O3 P
• Title of publication: Diethyl [(2-bromoanilino)(1,3-diphenyl-1<i>H</i>-pyrazol-4-yl)methyl]phosphonate
• Authors of publication: Suresh, G.; Sabari, V.; Nandakumar, A.; Perumal, P. T.; Aravindhan, S.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 5
• Pages of publication: o1554
• a: 11.2553 ± 0.0006 Å
• b: 23.9104 ± 0.0015 Å
• c: 9.4741 ± 0.0005 Å
• α: 90°
• β: 91.229 ± 0.003°
• γ: 90°
• Cell volume: 2549.1 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0784
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.1112
• Weighted residual factors for all reflections included in the refinement: 0.1288
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes