Information card for entry 2242569

Structure parameters

• Common name: Benzamide
• Chemical name: 2-Iodo-<i>N</i>-phenylbenzamide
• Formula: C13 H10 I N O
• Calculated formula: C13 H10 I N O
• SMILES: Ic1c(C(=O)Nc2ccccc2)cccc1
• Title of publication: Structural analysis of 2-iodobenzamide and 2-iodo-<i>N</i>-phenylbenzamide
• Authors of publication: Bairagi, Keshab M.; Kumar, Vipin B. S.; Bhandary, Subhrajyoti; Venugopala, Katharigatta N.; Nayak, Susanta K.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2018
• Journal volume: 74
• Journal issue: 8
• Pages of publication: 1130 - 1133
• a: 5.1225 ± 0.0002 Å
• b: 10.4572 ± 0.0004 Å
• c: 12.2167 ± 0.0005 Å
• α: 66.034 ± 0.002°
• β: 78.882 ± 0.002°
• γ: 85.76 ± 0.002°
• Cell volume: 586.76 ± 0.04 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0172
• Residual factor for significantly intense reflections: 0.0168
• Weighted residual factors for significantly intense reflections: 0.0421
• Weighted residual factors for all reflections included in the refinement: 0.0422
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes