Information card for entry 2239870

Structure parameters

• Chemical name: 5-Amino-5'-chloro-6-(4-chlorobenzoyl)-8-nitro-2,3-dihydro-1<i>H</i>-spiro[imidazo[1,2-<i>a</i>]pyridine-7,3'-indolin]-2'-one
• Formula: C21 H15 Cl2 N5 O4
• Calculated formula: C21 H15 Cl2 N5 O4
• SMILES: C1(=C2N(C(=C(C31C(=O)Nc1c3cc(cc1)Cl)C(=O)c1ccc(cc1)Cl)N)CCN2)N(=O)=O
• Title of publication: Crystal structure of 5-amino-5'-chloro-6-(4-chlorobenzoyl)-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 solvent molecule
• 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: 9
• Pages of publication: o971 - o972
• a: 12.9805 ± 0.0007 Å
• b: 13.2085 ± 0.0008 Å
• c: 16.7175 ± 0.001 Å
• α: 105.713 ± 0.002°
• β: 103.367 ± 0.002°
• γ: 91.051 ± 0.002°
• Cell volume: 2674.4 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0916
• Residual factor for significantly intense reflections: 0.0583
• Weighted residual factors for significantly intense reflections: 0.1685
• Weighted residual factors for all reflections included in the refinement: 0.1805
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes