Information card for entry 2101929

Structure parameters

• Formula: C21 H21 N5 O11
• Calculated formula: C21 H21 N5 O11
• SMILES: n1(cnc2ccccc12)C(C(=O)OCC)CC(=O)OCC.c1(O)c(N(=O)=O)cc(N(=O)=O)cc1N(=O)=O
• Title of publication: Diethyl 2-Benzimidazol-1-ylsuccinate‒Picric Acid (1/1) ‒ An Inclusion Molecular Complex
• Authors of publication: Zaderenko, Paula; Gil, Ma. Soledad; López, Pilar; Ballesteros, Paloma; Fonseca, Isabel; Albert, Armando
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 6
• Pages of publication: 961 - 967
• a: 11.31 ± 0.001 Å
• b: 23.183 ± 0.004 Å
• c: 9.462 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2480.9 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.1029
• Residual factor for significantly intense reflections: 0.0785
• Weighted residual factors for all reflections: 0.216
• Weighted residual factors for significantly intense reflections: 0.1889
• Goodness-of-fit parameter for all reflections: 1.135
• Goodness-of-fit parameter for significantly intense reflections: 1.177
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No