Information card for entry 2239664

Structure parameters

• Chemical name: 5-Amino-5'-bromo-6-(4-methylbenzoyl)-8-nitro-2,3-dihydro-1<i>H</i>-spiro[imidazo[1,2-<i>a</i>]pyridine-7,3'-indolin]-2'-one
• Formula: C22 H18 Br N5 O4
• Calculated formula: C22 H18 Br N5 O4
• SMILES: C1(=C2N(C(=C(C31C(=O)Nc1c3cc(cc1)Br)C(=O)c1ccc(cc1)C)N)CCN2)N(=O)=O
• Title of publication: 5-Amino-5'-bromo-6-(4-methylbenzoyl)-8-nitro-2,3-dihydro-1<i>H</i>-spiro[imidazo[1,2-<i>a</i>]pyridine-7,3'-indolin]-2'-one including an unknown solvate
• Authors of publication: Nagalakshmi, R. A.; Suresh, J.; Sivakumar, S.; Kumar, R. Ranjith; Lakshman, P. L. Nilantha
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 7
• Pages of publication: o816 - o817
• a: 15.5482 ± 0.0009 Å
• b: 14.7033 ± 0.0007 Å
• c: 12.1907 ± 0.0006 Å
• α: 90°
• β: 101.856 ± 0.002°
• γ: 90°
• Cell volume: 2727.5 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0622
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.1079
• Weighted residual factors for all reflections included in the refinement: 0.114
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes