Information card for entry 2240678

Structure parameters

• Chemical name: 4-(2-Azidophenyl)-5-benzoyl-2-(1<i>H</i>-indol-3-yl)-1<i>H</i>-pyrrole-3-carbonitrile
• Formula: C26 H16 N6 O
• Calculated formula: C26 H16 N6 O
• Title of publication: Crystal structure of 4-(2-azidophenyl)-5-benzoyl-2-(1<i>H</i>-indol-3-yl)-1<i>H</i>-pyrrole-3-carbonitrile
• Authors of publication: Vimala, G.; Raja, J. Kamal; Naaz, Y. Amina; Preumal, P. T.; SubbiahPandi, A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 5
• Pages of publication: o335 - o336
• a: 8.1834 ± 0.0006 Å
• b: 11.3713 ± 0.0008 Å
• c: 12.6853 ± 0.0008 Å
• α: 108.07 ± 0.003°
• β: 105.164 ± 0.004°
• γ: 90.256 ± 0.003°
• Cell volume: 1078.42 ± 0.13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0695
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for significantly intense reflections: 0.1255
• Weighted residual factors for all reflections included in the refinement: 0.1429
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes