Information card for entry 2018015

Structure parameters

• Common name: <i>N</i>'-[(7-Hydroxy-3',3'-dimethyl-3'<i>H</i>-spiro[chromene-2,1'- isobenzofuran]-8-yl)methylidene]-4-methylbenzohydrazide acetone monosolvate
• Chemical name: <i>N</i>'-{7'-hydroxy-3,3-dimethyl-3<i>H</i>-spiro[2-benzofuran-1,2'- chromene]-8'-ylmethylidene}-4-methylbenzohydrazide acetone monosolvate
• Formula: C30 H30 N2 O5
• Calculated formula: C30 H30 N2 O5
• SMILES: O1C2(OC(c3c2cccc3)(C)C)C=Cc2ccc(O)c(c12)/C=N/NC(=O)c1ccc(cc1)C.O=C(C)C
• Title of publication: Novel hydrazone derivatives of 7-hydroxy-3',3'-dimethyl-3'<i>H</i>-spiro[chromene-2,1'-isobenzofuran]-8-carbaldehyde
• Authors of publication: Bulanov, Antony; Shcherbakov, Igor N.; Popov, Leonid D.; Shasheva, E. Y.; Belikov, P. A.; Starikova, Zoya A.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 3
• Pages of publication: o85 - o88
• a: 8.591 ± 0.002 Å
• b: 17.272 ± 0.005 Å
• c: 17.569 ± 0.005 Å
• α: 90°
• β: 93.265 ± 0.005°
• γ: 90°
• Cell volume: 2602.7 ± 1.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1015
• Residual factor for significantly intense reflections: 0.0484
• Weighted residual factors for significantly intense reflections: 0.0807
• Weighted residual factors for all reflections included in the refinement: 0.0959
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes