Information card for entry 7112726

Structure parameters

• Formula: C23 H19 N3 O3
• Calculated formula: C23 H19 N3 O3
• SMILES: [C@]12(C(=O)Nc3ccccc13)[C@@H](c1ccccc1)[C@@H]([C@H](c1ccccc1)N2)N(=O)=O.[C@@]12(C(=O)Nc3ccccc13)[C@H](c1ccccc1)[C@H]([C@@H](c1ccccc1)N2)N(=O)=O
• Title of publication: Antimycobacterial activity of spirooxindolo-pyrrolidine, pyrrolizine and pyrrolothiazole hybrids obtained by a three-component regio- and stereoselective 1,3-dipolar cycloaddition
• Authors of publication: Rajesh, Stephen Michael; Perumal, Subbu; Menéndez, J. Carlos; Yogeeswari, Perumal; Sriram, Dharmarajan
• Journal of publication: MedChemComm
• Year of publication: 2011
• Journal volume: 2
• Journal issue: 7
• Pages of publication: 626
• a: 7.681 ± 0.004 Å
• b: 11.655 ± 0.005 Å
• c: 12.824 ± 0.003 Å
• α: 64.68 ± 0.03°
• β: 76.11 ± 0.04°
• γ: 71.43 ± 0.03°
• Cell volume: 976.5 ± 0.8 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: 0.1242
• Residual factor for significantly intense reflections: 0.1054
• Weighted residual factors for significantly intense reflections: 0.4769
• Weighted residual factors for all reflections included in the refinement: 0.4954
• Goodness-of-fit parameter for all reflections included in the refinement: 1.265
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No