Information card for entry 2016889

Structure parameters

• Chemical name: 1-[3-[4-(diphenylmethyl)-1-piperazinyl]propyl]-1,3-dihydro-2H-benzimidazol- 2-one
• Formula: C27 H32 N4 O2
• Calculated formula: C27 H32 N4 O2
• Title of publication: Structure of oxatomide monohydrate: an anti-allergic drug
• Authors of publication: Raves, M. L.; Kanters, J. A.; Tollenaere, J. P.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1992
• Journal volume: 48
• Journal issue: 9
• Pages of publication: 1712 - 1713
• a: 31.1173 ± 0.0016 Å
• b: 8.9219 ± 0.0006 Å
• c: 19.0721 ± 0.0014 Å
• α: 90°
• β: 112.853 ± 0.005°
• γ: 90°
• Cell volume: 4879.3 ± 0.6 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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 significantly intense reflections: 0.0581
• Weighted residual factors for significantly intense reflections: 0.0568
• Goodness-of-fit parameter for significantly intense reflections: 0.94
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No