Information card for entry 7212461

Structure parameters

• Common name: (glutaric acid).(isonicotinic acid hydrazide)
• Chemical name: (glutaric acid).(isonicotinic acid hydrazide)
• Formula: C11 H15 N3 O5
• Calculated formula: C11 H15 N3 O5
• SMILES: c1(ccncc1)C(=O)NN.C(=O)(CCCC(=O)O)O
• Title of publication: One-pot covalent and supramolecular synthesis of pharmaceutical co-crystals using the API isoniazid: a potential supramolecular reagent
• Authors of publication: Lemmerer, Andreas; Bernstein, Joel; Kahlenberg, Volker
• Journal of publication: CrystEngComm
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 10
• Pages of publication: 2856
• a: 5.0641 ± 0.0005 Å
• b: 8.1495 ± 0.001 Å
• c: 16.3114 ± 0.0017 Å
• α: 76.668 ± 0.01°
• β: 81.845 ± 0.008°
• γ: 73.046 ± 0.01°
• Cell volume: 624.54 ± 0.12 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0579
• Residual factor for significantly intense reflections: 0.0385
• Weighted residual factors for significantly intense reflections: 0.0778
• Weighted residual factors for all reflections included in the refinement: 0.0825
• Goodness-of-fit parameter for all reflections included in the refinement: 0.962
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No