Information card for entry 2240870

Structure parameters

• Chemical name: 1'-(prop-2-yn-1-yl)-1,4-dihydrospiro[benzo[<i>d</i>][1,3]oxazine-2,3'-indolin]-2'-one
• Formula: C18 H14 N2 O2
• Calculated formula: C18 H14 N2 O2
• SMILES: O1C2(Nc3c(C1)cccc3)c1c(N(C2=O)CC#C)cccc1
• Title of publication: Crystal structure of 1'-(prop-2-yn-1-yl)-1,4-dihydrospiro[benzo[<i>d</i>][1,3]oxazine-2,3'-indolin]-2'-one
• Authors of publication: AaminaNaaz, Y.; Kamalraja, J.; Vimala, G.; Perumal, P. T.; SubbiahPandi, A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 7
• Pages of publication: o510 - o511
• a: 5.5571 ± 0.0003 Å
• b: 8.5404 ± 0.0004 Å
• c: 15.4542 ± 0.0009 Å
• α: 85.884 ± 0.003°
• β: 86.814 ± 0.003°
• γ: 74.125 ± 0.003°
• Cell volume: 703.17 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0656
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.0909
• Weighted residual factors for all reflections included in the refinement: 0.1058
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes