Information card for entry 7217035

Structure parameters

• Common name: SulfacetamideIsonicotinamidecocrystal
• Chemical name: N-4-aminophenylsulfonylacetamidePyridine-4-carboxamide
• Formula: C20 H22 N6 O5 S
• Calculated formula: C20 H22 N6 O5 S
• SMILES: S(=O)(=O)(NC(=O)C)c1ccc(cc1)N.O=C(c1ccncc1)N.c1(C(=O)N)ccncc1
• Title of publication: Modulating the solubility of sulfacetamide by means of cocrystals
• Authors of publication: Rajesh Goud, N.; Khan, Ronaq Ali; Nangia, Ashwini
• Journal of publication: CrystEngComm
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 26
• Pages of publication: 5859
• a: 10.7667 ± 0.0004 Å
• b: 9.7508 ± 0.0004 Å
• c: 21.1014 ± 0.0007 Å
• α: 90°
• β: 96.176 ± 0.003°
• γ: 90°
• Cell volume: 2202.45 ± 0.14 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• 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: 0.0545
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for significantly intense reflections: 0.0963
• Weighted residual factors for all reflections included in the refinement: 0.1057
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No