Information card for entry 2224555

Structure parameters

• Chemical name: 2-[2-(4-Methoxyphenyl)-2,3-dihydro-1<i>H</i>-1,5-benzodiazepin-4-yl]phenol
• Formula: C22 H20 N2 O2
• Calculated formula: C22 H20 N2 O2
• SMILES: Oc1c(C2=Nc3c(NC(C2)c2ccc(OC)cc2)cccc3)cccc1
• Title of publication: 2-[2-(4-Methoxyphenyl)-2,3-dihydro-1<i>H</i>-1,5-benzodiazepin-4-yl]phenol
• Authors of publication: Bibila Mayaya Bisseyou, Yvon; Adjou, Ané; Yapo, Yapi Marcellin; Bany, Guy Euloge; Kakou-Yao, R. C. A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 1
• Pages of publication: o87 - o88
• a: 27.5064 ± 0.0005 Å
• b: 7.3811 ± 0.0002 Å
• c: 19.5038 ± 0.0004 Å
• α: 90°
• β: 117.699 ± 0.002°
• γ: 90°
• Cell volume: 3506.02 ± 0.15 ų
• Cell temperature: 223 K
• Ambient diffraction temperature: 223 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0985
• Residual factor for significantly intense reflections: 0.0551
• Weighted residual factors for all reflections: 0.0905
• Weighted residual factors for significantly intense reflections: 0.0719
• Weighted residual factors for all reflections included in the refinement: 0.065
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes