Information card for entry 2022621

Structure parameters

• Chemical name: <i>N</i>-(Thiophen-2-ylmethyl)thiophene-2-carboxamide
• Formula: C10 H9 N O S2
• Calculated formula: C10 H9 N O S2
• Title of publication: Synthesis, X-ray structure, antimicrobial activity, DFT and molecular docking studies of <i>N</i>-(thiophen-2-ylmethyl)thiophene-2-carboxamide
• Authors of publication: Çakmak, Şükriye; Demircioğlu, Zeynep; Uzun, Serap; Veyisoğlu, Aysel; Yakan, Hasan; Ersanli, Cem Cüneyt
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2022
• Journal volume: 78
• Journal issue: 7
• a: 4.9916 ± 0.0005 Å
• b: 10.8497 ± 0.0012 Å
• c: 10.0075 ± 0.001 Å
• α: 90°
• β: 98.411 ± 0.003°
• γ: 90°
• Cell volume: 536.15 ± 0.1 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 5
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.0545
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for significantly intense reflections: 0.1137
• Weighted residual factors for all reflections included in the refinement: 0.1192
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes