Information card for entry 8106681

Structure parameters

• Chemical name: 5-nitro-2-(<i>N</i>,<i>N</i>-diethylphenylethenamino)-1,3-thiazole
• Formula: C15 H17 N3 O2 S
• Calculated formula: C15 H17 N3 O2 S
• SMILES: s1c(N(=O)=O)cnc1/C=C(N(CC)CC)\c1ccccc1
• Title of publication: Crystal structure of (E)-N,N-diethyl-2-(5-nitrothiazol-2-yl)-1-phenylethen-1-amine, C15H17N3O2S
• Authors of publication: Pairan, Nur Farahin; Kasim, Noor Azilah Mohd; Yamin, Bohari M.; Shah, Noor Aisyah Ahmad
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2017
• Journal volume: 232
• Journal issue: 5
• Pages of publication: 795 - 797
• a: 9.065 ± 0.0015 Å
• b: 16.342 ± 0.003 Å
• c: 10.1187 ± 0.0017 Å
• α: 90°
• β: 91.061 ± 0.005°
• γ: 90°
• Cell volume: 1498.7 ± 0.4 ų
• Cell temperature: 308 ± 2 K
• Ambient diffraction temperature: 308 ± 2 K
• Number of distinct elements: 5
• 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: 0.1671
• Residual factor for significantly intense reflections: 0.0645
• Weighted residual factors for significantly intense reflections: 0.1042
• Weighted residual factors for all reflections included in the refinement: 0.1323
• 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: No