Information card for entry 1573078

Structure parameters

• Chemical name: 2-Amino-5-oxo-4-(thiophen-2-yl)-5,6,7,8-tetrahydro-4<i>H</i>-chromene-3-carbonitrile
• Formula: C14 H12 N2 O2 S
• Calculated formula: C14 H12 N2 O2 S
• Title of publication: 2-Amino-5-oxo-4-(thiophen-2-yl)-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
• Authors of publication: Nyapola, Carren; Zamisa, Sizwe J.; Njogu, Eric M.; Omondi, Bernard
• Journal of publication: IUCrData
• Year of publication: 2024
• Journal volume: 9
• Journal issue: 11
• Pages of publication: x241049
• a: 8.6822 ± 0.0002 Å
• b: 10.0623 ± 0.0002 Å
• c: 16.5504 ± 0.0004 Å
• α: 77.201 ± 0.001°
• β: 84.053 ± 0.001°
• γ: 73.839 ± 0.001°
• Cell volume: 1352.89 ± 0.05 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0611
• Residual factor for significantly intense reflections: 0.0438
• Weighted residual factors for significantly intense reflections: 0.1147
• Weighted residual factors for all reflections included in the refinement: 0.1271
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No