Information card for entry 7224185

Structure parameters

• Chemical name: isoniazid-adipic acid cocrystal II
• Formula: C18 H24 N6 O6
• Calculated formula: C18 H24 N6 O6
• SMILES: C(=O)(CCCCC(=O)O)O.c1(ccncc1)C(=O)NN.c1(ccncc1)C(=O)NN
• Title of publication: Isoniazid cocrystallisation with dicarboxylic acids: vapochemical, mechanochemical and thermal methods
• Authors of publication: Sarceviča, I.; Kons, A.; Orola, L.
• Journal of publication: CrystEngComm
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 9
• Pages of publication: 1625
• a: 16.2 ± 0.01 Å
• b: 7.378 ± 0.007 Å
• c: 8.793 ± 0.006 Å
• α: 90°
• β: 105.079 ± 0.03°
• γ: 90°
• Cell volume: 1014.8 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Goodness-of-fit parameter for all reflections: 7.9
• Method of determination: powder diffraction
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No