Information card for entry 7227363

Structure parameters

• Chemical name: Ethenzamide-35Dihydroxybenzoicacid dihydrate
• Formula: C30 H33 N O16
• Calculated formula: C30 H31 N O16
• SMILES: c1(c(cccc1)OCC)C(=O)N.c1(cc(cc(c1)O)O)C(=O)O.c1(cc(cc(c1)O)O)C(=O)O.c1(cc(cc(c1)O)O)C(=O)O.O.O
• Title of publication: Crystal structure landscape of ethenzamide: a physicochemical property study
• Authors of publication: Sarmah, Kashyap Kumar; Boro, Kaveri; Arhangelskis, Mihails; Thakuria, Ranjit
• Journal of publication: CrystEngComm
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 5
• Pages of publication: 826
• a: 11.1756 ± 0.0012 Å
• b: 11.7633 ± 0.0014 Å
• c: 12.2009 ± 0.0014 Å
• α: 95.319 ± 0.008°
• β: 102.434 ± 0.007°
• γ: 100.852 ± 0.007°
• Cell volume: 1523.4 ± 0.3 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: 0.1767
• Residual factor for significantly intense reflections: 0.0682
• Weighted residual factors for significantly intense reflections: 0.1688
• Weighted residual factors for all reflections included in the refinement: 0.2191
• Goodness-of-fit parameter for all reflections included in the refinement: 0.957
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No