Information card for entry 2208343

Structure parameters

• Chemical name: 5-Nitro-1-(2-piperidinoethyl)-1H-benzimidazole
• Formula: C14 H18 N4 O2
• Calculated formula: C14 H18 N4 O2
• SMILES: O=N(=O)c1ccc2n(cnc2c1)CCN1CCCCC1
• Title of publication: 5-Nitro-1-(2-piperidinoethyl)-1<i>H</i>-benzimidazole
• Authors of publication: Mehmet Akkurt; Sema Öztürk Yıldırım; Hasan Küçükbay; Nihat Şireci; Hoong-Kun Fun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 3
• Pages of publication: o922 - o924
• a: 6.3202 ± 0.0002 Å
• b: 10.1321 ± 0.0004 Å
• c: 12.4362 ± 0.0005 Å
• α: 104.109 ± 0.003°
• β: 103.953 ± 0.002°
• γ: 102.546 ± 0.002°
• Cell volume: 716.61 ± 0.05 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.1031
• Residual factor for significantly intense reflections: 0.0723
• Weighted residual factors for significantly intense reflections: 0.1949
• Weighted residual factors for all reflections included in the refinement: 0.2185
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No