Information card for entry 2238421

Structure parameters

• Chemical name: <i>N</i>'-Phenyl-<i>N</i>'-[3-(2,4,5-triphenyl-2,5-dihydro-1<i>H</i>-pyrazol-3-yl)quinoxalin-2-yl]benzohydrazide
• Formula: C42 H32 N6 O
• Calculated formula: C42 H32 N6 O
• SMILES: O=C(c1ccccc1)NN(c1nc2ccccc2nc1[C@H]1N(N=C([C@@H]1c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1.O=C(c1ccccc1)NN(c1nc2ccccc2nc1[C@@H]1N(N=C([C@H]1c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1
• Title of publication: <i>N</i>'-Phenyl-<i>N</i>'-[3-(2,4,5-triphenyl-2,5-dihydro-1<i>H</i>-pyrazol-3-yl)quinoxalin-2-yl]benzohydrazide
• Authors of publication: Ramli, Youssef; Karrouchi, Khalid; Essassi, El Mokhtar; El Ammari, Lahcen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 8
• Pages of publication: o1320 - o1321
• a: 12.0127 ± 0.0003 Å
• b: 19.4679 ± 0.0005 Å
• c: 15.2083 ± 0.0004 Å
• α: 90°
• β: 106.045 ± 0.001°
• γ: 90°
• Cell volume: 3418.09 ± 0.15 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0984
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.098
• Weighted residual factors for all reflections included in the refinement: 0.1173
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes