Information card for entry 2211707

Structure parameters

• Chemical name: 3-Ethyl-5-(4-oxochroman-3-ylmethylene)-1,3-imidazolidine-2,4-dione
• Formula: C15 H12 N2 O4
• Calculated formula: C15 H12 N2 O4
• SMILES: O=C1N(C(=O)NC/1=C\c1c(=O)c2c(oc1)cccc2)CC
• Title of publication: 3-Ethyl-5-(4-oxochroman-3-ylmethylene)-1,3-imidazolidine-2,4-dione
• Authors of publication: Aslantaş, Mehmet; Ceylan‒Ünlüsoy, Meltem; Ertan, Rahmiye; Kendi, Engin; Büyükgüngör, Orhan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 1
• Pages of publication: o184 - o185
• a: 5.3407 ± 0.0004 Å
• b: 10.407 ± 0.0008 Å
• c: 12.0223 ± 0.0009 Å
• α: 106.953 ± 0.006°
• β: 101.066 ± 0.006°
• γ: 92.143 ± 0.006°
• Cell volume: 624.18 ± 0.09 ų
• Cell temperature: 295 ± 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 significantly intense reflections: 0.0428
• Weighted residual factors for all reflections included in the refinement: 0.1144
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes