Information card for entry 2238018

Structure parameters

• Chemical name: Ethyl 2-oxo-3-(3-phthalimidopropyl)-2,3-dihydro-1<i>H</i>-1,3-benzimidazole-1-carboxylate
• Formula: C21 H19 N3 O5
• Calculated formula: C21 H19 N3 O5
• SMILES: CCOC(=O)N1C(=O)N(c2c1cccc2)CCCN1C(=O)c2c(C1=O)cccc2
• Title of publication: Ethyl 2-oxo-3-(3-phthalimidopropyl)-2,3-dihydro-1<i>H</i>-1,3-benzimidazole-1-carboxylate
• Authors of publication: Belaziz, Dounia; Kandri Rodi, Youssef; Kandri Rodi, Adiba; Essassi, El Mokhtar; Saadi, Mohamed; El Ammari, Lahcen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 5
• Pages of publication: o641 - o642
• a: 5.285 ± 0.0007 Å
• b: 10.6663 ± 0.0012 Å
• c: 16.505 ± 0.002 Å
• α: 86.454 ± 0.007°
• β: 83.424 ± 0.008°
• γ: 89.376 ± 0.007°
• Cell volume: 922.5 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0759
• Residual factor for significantly intense reflections: 0.0509
• Weighted residual factors for significantly intense reflections: 0.1282
• Weighted residual factors for all reflections included in the refinement: 0.145
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes