Information card for entry 2215611

Structure parameters

• Chemical name: <i>N</i>-(4-Methylpyridin-2-yl)-5<i>H</i>-dibenzo[d,f][1,3]diazepine-6- carboxamide toluene hemisolvate
• Formula: C23.5 H20 N4 O
• Calculated formula: C23.5 H20 N4 O
• Title of publication: <i>N</i>-(4-Methylpyridin-2-yl)-5<i>H</i>-dibenzo[<i>d</i>,<i>f</i>][1,3]diazepine-6-carboxamide toluene hemisolvate
• Authors of publication: Hodorowicz, Maciej; Stadnicka, Katarzyna; Trzewik, Bartosz; Zaleska, Barbara
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 10
• Pages of publication: o4115 - o4115
• a: 8.9323 ± 0.0002 Å
• b: 9.6863 ± 0.0002 Å
• c: 12.1478 ± 0.0003 Å
• α: 77.05 ± 0.001°
• β: 87.529 ± 0.001°
• γ: 70.191 ± 0.001°
• Cell volume: 963.08 ± 0.04 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: 0.1243
• Residual factor for significantly intense reflections: 0.0519
• Weighted residual factors for significantly intense reflections: 0.1273
• Weighted residual factors for all reflections included in the refinement: 0.1479
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes