Information card for entry 2239504

Structure parameters

• Formula: C23 H23 N5 O5 S
• Calculated formula: C23 H23 N5 O5 S
• SMILES: C1(=C2N(C(=C(C31C(=O)Nc1c3cccc1)C(=O)c1ccccc1)N)CCN2)N(=O)=O.CS(C)=O
• Title of publication: 5-Amino-6-benzoyl-8-nitro-2,3-dihydro-1<i>H</i>-spiro[imidazo[1,2-<i>a</i>]pyridine-7,3'-indolin]-2'-one dimethyl sulfoxide monosolvate
• 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: 5
• Pages of publication: o604 - o605
• a: 16.476 ± 0.003 Å
• b: 13.527 ± 0.002 Å
• c: 10.0727 ± 0.0018 Å
• α: 90°
• β: 99.868 ± 0.005°
• γ: 90°
• Cell volume: 2211.7 ± 0.7 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: 0.0912
• Residual factor for significantly intense reflections: 0.0558
• Weighted residual factors for significantly intense reflections: 0.1366
• Weighted residual factors for all reflections included in the refinement: 0.1602
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes