Information card for entry 7206693

Structure parameters

• Common name: 5H-dibenz(b,f)azepine-5-carboxamide 2-(1-((4- chlorophenyl)carbonyl)-5-methoxy-2-methyl-1H-indol-3-yl)acetic acid (1/1)
• Chemical name: 5H-dibenz[b,f]azepine-5-carboxamide 2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl-1H-indol-3-yl}acetic acid (1/1)
• Formula: C34 H28 Cl N3 O5
• Calculated formula: C34 H28 Cl N3 O5
• SMILES: N1(c2ccccc2C=Cc2c1cccc2)C(=O)N.n1(c(c(c2c1ccc(c2)OC)CC(=O)O)C)C(=O)c1ccc(cc1)Cl
• Title of publication: A carbamazepine-indomethacin (1 : 1) cocrystal produced by milling
• Authors of publication: Majumder, Mridul; Buckton, Graham; Rawlinson-Malone, Clare; Williams, Adrian C.; Spillman, Mark J.; Shankland, Norman; Shankland, Kenneth
• Journal of publication: CrystEngComm
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 21
• Pages of publication: 6327
• a: 10.2447 ± 0.0003 Å
• b: 29.148 ± 0.001 Å
• c: 10.2114 ± 0.0003 Å
• α: 90°
• β: 106.636 ± 0.002°
• γ: 90°
• Cell volume: 2921.62 ± 0.16 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