Information card for entry 4506384

Structure parameters

• Common name: gallic acid monohydrate acetamide
• Formula: C13 H21 N3 O8
• Calculated formula: C13 H21 N3 O8
• SMILES: OC(=O)c1cc(O)c(O)c(O)c1.O=C(N)C.O=C(N)C.O=C(N)C
• Title of publication: Polymorphic Anhydrous Cocrystals of Gallic Acid and Acetamide from Methanol: Pointers toward a Stable Cocrystal Form
• Authors of publication: Kaur, Ramanpreet; Guru Row, Tayur N.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2012
• Journal volume: 12
• Journal issue: 6
• Pages of publication: 2744
• a: 7.186 ± 0.0003 Å
• b: 7.9309 ± 0.0004 Å
• c: 14.6006 ± 0.0008 Å
• α: 82.635 ± 0.004°
• β: 82.395 ± 0.004°
• γ: 87.086 ± 0.004°
• Cell volume: 817.5 ± 0.07 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: 0.0451
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.1031
• Weighted residual factors for all reflections included in the refinement: 0.1085
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No