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Information card for entry 2022621
Preview
Coordinates | 2022621.cif |
---|---|
Structure factors | 2022621.hkl |
Original IUCr paper | HTML |
Chemical name | <i>N</i>-(Thiophen-2-ylmethyl)thiophene-2-carboxamide |
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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 Å3 |
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 |
Revision | Date | Message | Files |
---|---|---|---|
276217 (current) | 2022-06-24 | cif/ hkl/ Adding structures of 2022621 via cif-deposit CGI script. |
2022621.cif 2022621.hkl |
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Users of the data should acknowledge the original authors of the
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