Information card for entry 2007502

Structure parameters

• Chemical name: Benzo[g]imidazo[1,2-a]-2,3,5,6,7,8-hexahydro-quinazoline
• Formula: C14 H13 N3
• Calculated formula: C14 H13 N3
• SMILES: n1c2CCCCc2cn2c1nc1ccccc21
• Title of publication: 1,2,3,4-Tetrahydrobenzimidazo[2,1-<i>b</i>]quinazoline
• Authors of publication: Elgemeie, Galal E. H.; Fathy, Nahed M.; Hopf, Henning; Jones, Peter G.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 8
• Pages of publication: 1109 - 1111
• a: 6.4542 ± 0.0014 Å
• b: 12.388 ± 0.003 Å
• c: 13.501 ± 0.003 Å
• α: 90°
• β: 93.2 ± 0.02°
• γ: 90°
• Cell volume: 1077.8 ± 0.4 ų
• Cell temperature: 143 ± 2 K
• Ambient diffraction temperature: 143 ± 2 K
• Number of distinct elements: 3
• 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: 0.083
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for all reflections: 0.126
• Weighted residual factors for significantly intense reflections: 0.109
• Goodness-of-fit parameter for all reflections: 1.047
• Goodness-of-fit parameter for significantly intense reflections: 1.108
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No