Information card for entry 2019453

Structure parameters

• Common name: Cinnamic acid‒isoniazid (1/1)
• Chemical name: Cinnamic acid‒pyridine-4-carbohydrazide (1/1)
• Formula: C15 H15 N3 O3
• Calculated formula: C15 H15 N3 O3
• SMILES: OC(=O)/C=C/c1ccccc1.NNC(=O)c1ccncc1
• Title of publication: Cinnamic acid hydrogen bonds to isoniazid and <i>N</i>'-(propan-2-ylidene)isonicotinohydrazide, an <i>in situ</i> reaction product of isoniazid and acetone
• Authors of publication: Sarcevica, Inese; Orola, Liana; Veidis, Mikelis V.; Belyakov, Sergey
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 4
• Pages of publication: 392 - 395
• a: 6.4872 ± 0.0002 Å
• b: 8.1478 ± 0.0004 Å
• c: 13.5603 ± 0.00011 Å
• α: 95.1691 ± 0.0011°
• β: 101.111 ± 0.0011°
• γ: 98.6376 ± 0.0017°
• Cell volume: 690.08 ± 0.04 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: 0.0636
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.1117
• Weighted residual factors for all reflections included in the refinement: 0.1225
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes