Information card for entry 7200289

Structure parameters

• Common name: nicotinamide:glutaric acid 1:1
• Chemical name: nicotinamide:glutaric acid 1:1
• Formula: C11 H14 N2 O5
• Calculated formula: C11 H14 N2 O5
• SMILES: O=C(O)CCCC(=O)O.O=C(N)c1cnccc1
• Title of publication: Control and interconversion of cocrystal stoichiometry in grinding: stepwise mechanism for the formation of a hydrogen-bonded cocrystal
• Authors of publication: Karki, Shyam; Friščić, Tomislav; Jones, William
• Journal of publication: CrystEngComm
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 3
• Pages of publication: 470
• a: 5.4556 ± 0.0005 Å
• b: 7.3692 ± 0.0006 Å
• c: 15.1945 ± 0.0013 Å
• α: 99.413 ± 0.005°
• β: 94.592 ± 0.005°
• γ: 104.775 ± 0.003°
• Cell volume: 577.95 ± 0.09 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.079
• Residual factor for significantly intense reflections: 0.0531
• Weighted residual factors for significantly intense reflections: 0.1184
• Weighted residual factors for all reflections included in the refinement: 0.1335
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No