Information card for entry 2019454

Structure parameters

• Common name: Cinnamic acid‒<i>N</i>'-(propan-2-ylidene)isonicotinohydrazide (1/1)
• Chemical name: Cinnamic acid‒<i>N</i>'-(propan-2-ylidene)pyridine-4-carbohydrazide (1/1)
• Formula: C18 H19 N3 O3
• Calculated formula: C18 H19 N3 O3
• SMILES: CC(=NNC(=O)c1ccncc1)C.OC(=O)/C=C/c1ccccc1
• 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: 8.8818 ± 0.0001 Å
• b: 21.0445 ± 0.0004 Å
• c: 9.0764 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1696.5 ± 0.04 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P b 21 a
• Hall space group symbol: P -2a -2ab
• Residual factor for all reflections: 0.0457
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.0829
• Weighted residual factors for all reflections included in the refinement: 0.0877
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes