Information card for entry 7240205

Structure parameters

• Formula: C21 H19 N7 O4
• Calculated formula: C21 H19 N7 O4
• SMILES: O=C(N1CCN(c2ncc(NC(=O)c3cc(N(=O)=O)ccc3)cc2)CC1)c1nccnc1
• Title of publication: Seeking potent anti-tubercular agents: design and synthesis of substituted-N-(6-(4-(pyrazine-2-carbonyl)piperazine/homopiperazine-1-yl)pyridin-3-yl)benzamide derivatives as anti-tubercular agents
• Authors of publication: Srinivasarao, Singireddi; Nandikolla, Adinarayana; Suresh, Amaroju; Calster, Kevin Van; De Voogt, Linda; Cappoen, Davie; Ghosh, Balaram; Aggarwal, Himanshu; Murugesan, Sankaranarayanan; Chandra Sekhar, Kondapalli Venkata Gowri
• Journal of publication: RSC Advances
• Year of publication: 2020
• Journal volume: 10
• Journal issue: 21
• Pages of publication: 12272 - 12288
• a: 8.2628 ± 0.0002 Å
• b: 9.9451 ± 0.0002 Å
• c: 12.8729 ± 0.0003 Å
• α: 74.307 ± 0.002°
• β: 74.059 ± 0.002°
• γ: 79.348 ± 0.002°
• Cell volume: 972.22 ± 0.04 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0382
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for significantly intense reflections: 0.098
• Weighted residual factors for all reflections included in the refinement: 0.0996
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No