Information card for entry 7241532

Structure parameters

• Common name: Nicorandil-Subaric acid cocrystal
• Formula: C12 H16 N3 O6
• Calculated formula: C12 H16 N3 O6
• 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: 6.835 ± 0.002 Å
• b: 23.752 ± 0.005 Å
• c: 8.939 ± 0.002 Å
• α: 90°
• β: 101.16 ± 0.03°
• γ: 90°
• Cell volume: 1423.8 ± 0.6 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1291
• Residual factor for significantly intense reflections: 0.0606
• Weighted residual factors for significantly intense reflections: 0.1345
• Weighted residual factors for all reflections included in the refinement: 0.1635
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71076 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No