Information card for entry 2222646

Structure parameters

• Chemical name: <i>N</i>-[(<i>E</i>)-Quinoxalin-2-ylmethylidene]-1<i>H</i>-indazol-5-amine
• Formula: C16 H11 N5
• Calculated formula: C16 H11 N5
• SMILES: n1c2ccccc2nc(c1)/C=N/c1cc2c([nH]nc2)cc1
• Title of publication: <i>N</i>-[(<i>E</i>)-Quinoxalin-2-ylmethylidene]-1<i>H</i>-indazol-5-amine
• Authors of publication: Leeju, P.; Arun, V.; Sebastian, Manju; Varsha, G.; Varghese, Digna; Yusuff, K. K. M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 8
• Pages of publication: o1981
• a: 7.7015 ± 0.0006 Å
• b: 8.033 ± 0.0006 Å
• c: 20.6034 ± 0.0016 Å
• α: 90°
• β: 96.882 ± 0.002°
• γ: 90°
• Cell volume: 1265.47 ± 0.17 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 3
• 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: 0.0708
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for significantly intense reflections: 0.1223
• Weighted residual factors for all reflections included in the refinement: 0.1427
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes