Information card for entry 7241531

Structure parameters

• Common name: Nicorandil-Fumaric acid salt
• Formula: C12 H13 N3 O8
• Calculated formula: C12 H13 N3 O8
• SMILES: O(N(=O)=O)CCNC(=O)c1c[nH+]ccc1.O=C(O)/C=C/C(=O)[O-]
• Title of publication: Enhanced solubility, permeability, and tabletability of nicorandil by salt and cocrystal formation
• Authors of publication: Mannava, M. K. Chaitanya; Gunnam, Anilkumar; Lodagekar, Anurag; Shastri, Nalini R.; Nangia, Ashwini K.; Solomon, K. Anand
• Journal of publication: CrystEngComm
• Year of publication: 2021
• Journal volume: 23
• Journal issue: 1
• Pages of publication: 227 - 237
• a: 29.813 ± 0.006 Å
• b: 4.787 ± 0.002 Å
• c: 9.861 ± 0.002 Å
• α: 90 ± 0.03°
• β: 90 ± 0.03°
• γ: 90 ± 0.03°
• Cell volume: 1407.3 ± 0.7 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0307
• Residual factor for significantly intense reflections: 0.0284
• Weighted residual factors for significantly intense reflections: 0.069
• Weighted residual factors for all reflections included in the refinement: 0.0706
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71076 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No