Information card for entry 2225833

Structure parameters

• Common name: Ethenzamide–gentisic acid–acetic acid (2/1/1)
• Chemical name: 2-ethoxybenzamide—2,5-dihydroxybenzoic acid—ethanoic acid (2/1/1)
• Formula: C27 H32 N2 O10
• Calculated formula: C27 H32 N2 O10
• SMILES: O(c1ccccc1C(=O)N)CC.O=C(O)C.O=C(c1c(OCC)cccc1)N.Oc1cc(C(=O)O)c(O)cc1
• Title of publication: Ethenzamide–gentisic acid–acetic acid (2/1/1)
• Authors of publication: Aitipamula, Srinivasulu; Chow, Pui Shan; Tan, Reginald B.H.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 5
• Pages of publication: o1045 - o1046
• a: 8.8083 ± 0.0018 Å
• b: 8.8802 ± 0.0018 Å
• c: 19.88 ± 0.004 Å
• α: 93.65 ± 0.03°
• β: 93.55 ± 0.03°
• γ: 119.45 ± 0.03°
• Cell volume: 1343.5 ± 0.6 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 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: 0.0537
• Residual factor for significantly intense reflections: 0.0496
• Weighted residual factors for significantly intense reflections: 0.1308
• Weighted residual factors for all reflections included in the refinement: 0.1345
• Goodness-of-fit parameter for all reflections included in the refinement: 1.113
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes