Information card for entry 7218793

Structure parameters

• Chemical name: N-(4-(4-((4-chloro-3-methylphenoxy)methyl)-1H-1,2,3-triazole-1-yl)-2-phenoxyphenyl)methanesulfonamide
• Formula: C23 H21 Cl N4 O4 S
• Calculated formula: C23 H21 Cl N4 O4 S
• Title of publication: Structural study of three nimesulidetriazole derivatives using X-ray powder diffraction: effect of substitution on supramolecular assembly
• Authors of publication: Dey, Tanusri; Ghosh, Soumen; Mareddy, Jyoti; Anireddy, Jayashree; Pal, Sarbani; Mukherjee, Alok K.
• Journal of publication: CrystEngComm
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 4
• Pages of publication: 764
• a: 21.5451 ± 0.0013 Å
• b: 10.1672 ± 0.0007 Å
• c: 10.6966 ± 0.001 Å
• α: 90°
• β: 103.713 ± 0.005°
• γ: 90°
• Cell volume: 2276.3 ± 0.3 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• RFsqd: 0.13976
• Goodness-of-fit parameter for all reflections: 1.49
• Method of determination: powder diffraction
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.5418 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No