Information card for entry 2226373

Structure parameters

• Common name: Benzamide picric acid (1:1) adduct
• Chemical name: Benzamide‒picric acid (1/1)
• Formula: C13 H10 N4 O8
• Calculated formula: C13 H10 N4 O8
• SMILES: Oc1c(N(=O)=O)cc(N(=O)=O)cc1N(=O)=O.O=C(N)c1ccccc1
• Title of publication: Benzamide‒picric acid (1/1)
• Authors of publication: Sivaramkumar, M. S.; Velmurugan, R.; Sekar, M.; Ramesh, P.; Ponnuswamy, M. N.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 7
• Pages of publication: o1820
• a: 7.8644 ± 0.0003 Å
• b: 7.0664 ± 0.0003 Å
• c: 25.658 ± 0.001 Å
• α: 90°
• β: 90.978 ± 0.004°
• γ: 90°
• Cell volume: 1425.68 ± 0.1 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0585
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for significantly intense reflections: 0.0977
• Weighted residual factors for all reflections included in the refinement: 0.1021
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes