Information card for entry 4502993

Structure parameters

• Common name: furosemide nicotinamide 1:1 cocrystal hydrate
• Chemical name: 4-chloro-2-[(2-furanylmethyl)amino]-5-sulfamoylbenzoic acid pyridine-3-carboxamide
• Formula: C18 H21 Cl N4 O8 S
• Calculated formula: C18 H14 Cl N4 O8 S
• Title of publication: Polymorphs and a Hydrate of Furosemide‒Nicotinamide 1:1 Cocrystal
• Authors of publication: Ueto, Takamitsu; Takata, Noriyuki; Muroyama, Norihiro; Nedu, Akimitsu; Sasaki, Akito; Tanida, Satoshi; Terada, Katsuhide
• Journal of publication: Crystal Growth & Design
• Year of publication: 2012
• Journal volume: 12
• Journal issue: 1
• Pages of publication: 485
• a: 46.9784 ± 0.0016 Å
• b: 5.098 ± 0.00015 Å
• c: 18.1866 ± 0.0006 Å
• α: 90°
• β: 92.568 ± 0.0018°
• γ: 90°
• Cell volume: 4351.2 ± 0.2 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for significantly intense reflections: 0.0661
• Weighted residual factors for all reflections included in the refinement: 0.1456
• Goodness-of-fit parameter for all reflections included in the refinement: 0.931
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No