Information card for entry 2240208

Structure parameters

• Chemical name: 3-{1-[(1-Allyl-1<i>H</i>-indazol-6-yl)amino]ethylidene}-6-methyl-2<i>H</i>-pyran-2,4(3<i>H</i>)-dione
• Formula: C18 H17 N3 O3
• Calculated formula: C18 H17 N3 O3
• SMILES: c1c2ccc(cc2n(CC=C)n1)N/C(=C/1C(=O)C=C(C)OC1=O)C
• Title of publication: Crystal structure of 3-{1-[(1-allyl-1<i>H</i>-indazol-6-yl)amino]ethylidene}-6-methyl-2<i>H</i>-pyran-2,4(3<i>H</i>)-dione
• Authors of publication: El Ghozlani, Mohamed; Rakib, El Mostapha; Gamouh, Ahmed; Saadi, Mohamed; El Ammari, Lahcen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 12
• Pages of publication: o1256
• a: 6.7708 ± 0.0011 Å
• b: 10.5761 ± 0.0017 Å
• c: 11.9643 ± 0.0017 Å
• α: 88.239 ± 0.009°
• β: 81.123 ± 0.009°
• γ: 79.14 ± 0.009°
• Cell volume: 831.3 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0613
• Residual factor for significantly intense reflections: 0.0438
• Weighted residual factors for significantly intense reflections: 0.1186
• Weighted residual factors for all reflections included in the refinement: 0.1313
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes