Information card for entry 2203943

Structure parameters

• Chemical name: 1-(2-Morpholinoethhyl)benzimidazole
• Formula: C13 H17 N3 O
• Calculated formula: C13 H17 N3 O
• SMILES: O1CCN(CCn2cnc3c2cccc3)CC1
• Title of publication: 1-(2-Morpholinoethyl)-1<i>H</i>-benzimidazole
• Authors of publication: Mehmet Akkurt; Sema Öztürk; Nihat Şireci; Hasan Küçükbay; Orhan Büyükgüngör
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 7
• Pages of publication: o1185 - o1187
• a: 6.3949 ± 0.0007 Å
• b: 8.7222 ± 0.0007 Å
• c: 11.0868 ± 0.0012 Å
• α: 90°
• β: 92.345 ± 0.009°
• γ: 90°
• Cell volume: 617.88 ± 0.11 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 250 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0442
• Residual factor for significantly intense reflections: 0.0308
• Weighted residual factors for significantly intense reflections: 0.0715
• Weighted residual factors for all reflections included in the refinement: 0.0746
• Goodness-of-fit parameter for all reflections included in the refinement: 0.886
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No