Information card for entry 7209836

Structure parameters

• Common name: Indomethacin Nicotinamide (1/1)
• Chemical name: 2-[1-(4-Chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetic acid Pyridine-3-carboxamide (1/1)
• Formula: C25 H22 Cl N3 O5
• Calculated formula: C25 H22 Cl N3 O5
• SMILES: Clc1ccc(C(=O)n2c(c(c3cc(OC)ccc23)CC(=O)O)C)cc1.O=C(N)c1cnccc1
• Title of publication: Application of hydrogen-bond propensity calculations to an indomethacin‒nicotinamide (1 : 1) co-crystal
• Authors of publication: Majumder, Mridul; Buckton, Graham; Rawlinson-Malone, Clare F.; Williams, Adrian C.; Spillman, Mark J.; Pidcock, Elna; Shankland, Kenneth
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 20
• Pages of publication: 4041
• a: 17.198 ± 0.0008 Å
• b: 5.0156 ± 0.0002 Å
• c: 27.3815 ± 0.0015 Å
• α: 90°
• β: 97.311 ± 0.002°
• γ: 90°
• Cell volume: 2342.68 ± 0.19 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Method of determination: powder diffraction
• Diffraction radiation wavelength: 1.54056 Å
• Diffraction radiation type: CuKα~1~
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No