Information card for entry 2237348

Structure parameters

• Chemical name: 3-[2-(5-<i>tert</i>-Butyl-1,2-oxazol-3-yl)hydrazinylidene]chroman-2,4-dione
• Formula: C16 H15 N3 O4
• Calculated formula: C16 H15 N3 O4
• SMILES: O=C1Oc2ccccc2C(=O)/C1=N\Nc1noc(c1)C(C)(C)C
• Title of publication: 3-[2-(5-<i>tert</i>-Butyl-1,2-oxazol-3-yl)hydrazinylidene]chroman-2,4-dione
• Authors of publication: Jashari, Ahmed; Popovski, Emil; Mikhova, Bozhana; Nikolova, Rositsa P.; Shivachev, Boris L.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 2
• Pages of publication: o258
• a: 13.431 ± 0.014 Å
• b: 9.1803 ± 0.0009 Å
• c: 12.638 ± 0.004 Å
• α: 90°
• β: 100.49 ± 0.08°
• γ: 90°
• Cell volume: 1532.2 ± 1.7 ų
• Cell temperature: 290 ± 2 K
• Ambient diffraction temperature: 290 ± 2 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
• Residual factor for all reflections: 0.101
• Residual factor for significantly intense reflections: 0.0718
• Weighted residual factors for significantly intense reflections: 0.1659
• Weighted residual factors for all reflections included in the refinement: 0.1813
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes