Information card for entry 2018614

Structure parameters

• Chemical name: 2,4-dihydroxybenzoic acid‒<i>N</i>'-(propan-2-ylidene)nicotinohydrazide (1/1)
• Formula: C16 H17 N3 O5
• Calculated formula: C16 H17 N3 O5
• SMILES: O=C(NN=C(C)C)c1cnccc1.OC(=O)c1c(O)cc(O)cc1
• Title of publication: Rietveld refinement of the cocrystal 2,4-dihydroxybenzoic acid‒<i>N</i>'-(propan-2-ylidene)nicotinohydrazide (1/1)
• Authors of publication: Lapidus, Saul H.; Lemmerer, Andreas; Bernstein, Joel; Stephens, Peter W.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 9
• Pages of publication: o335 - o337
• a: 8.5813 ± 0.0003 Å
• b: 22.7241 ± 0.0007 Å
• c: 8.8506 ± 0.0003 Å
• α: 90°
• β: 95.76 ± 0.003°
• γ: 90°
• Cell volume: 1717.17 ± 0.1 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 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: 1.475
• Method of determination: powder diffraction
• Diffraction radiation wavelength: 0.6999 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No