Information card for entry 7227365

Structure parameters

• Chemical name: Ethenzamide Ferulic acid
• Formula: C19 H21 N O6
• Calculated formula: C19 H21 N O6
• SMILES: c1(c(cccc1)OCC)C(=O)N.c1(cc(c(cc1)O)OC)/C=C/C(=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: 15.539 ± 0.002 Å
• b: 7.4265 ± 0.001 Å
• c: 31.796 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3669.3 ± 0.8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1115
• Residual factor for significantly intense reflections: 0.0511
• Weighted residual factors for significantly intense reflections: 0.1342
• Weighted residual factors for all reflections included in the refinement: 0.1617
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No