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Information card for entry 2311839
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Coordinates | 2311839.cif |
---|---|
Original IUCr paper | HTML |
Chemical name | 6-(4-Fluoro-3-methoxyphenyl)-2-methylimidazo[2,1-<i>b</i>][1,3,4]thiadiazole |
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Formula | C12 H10 F N3 O S |
Calculated formula | C12 H10 F N3 O S |
SMILES | s1c(nn2cc(nc12)c1cc(c(F)cc1)OC)C |
Title of publication | Different patterns of supramolecular assembly in constitutionally similar 6-arylimidazo[2,1-b][1,3,4]thiadiazoles. |
Authors of publication | Praveen, Aletti S.; Yathirajan, Hemmige S.; Kaur, Manpreet; Narayana, Badiadka; Hosten, Eric C.; Betz, Richard; Glidewell, Christopher |
Journal of publication | Acta crystallographica. Section C, Structural chemistry |
Year of publication | 2014 |
Journal volume | 70 |
Journal issue | Pt 9 |
Pages of publication | 920 - 926 |
a | 8.6766 ± 0.0003 Å |
b | 11.7888 ± 0.0004 Å |
c | 12.5227 ± 0.0004 Å |
α | 103.039 ± 0.002° |
β | 95.189 ± 0.002° |
γ | 110.365 ± 0.002° |
Cell volume | 1149.69 ± 0.07 Å3 |
Cell temperature | 200 ± 2 K |
Ambient diffraction temperature | 200 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0447 |
Residual factor for significantly intense reflections | 0.0356 |
Weighted residual factors for significantly intense reflections | 0.0965 |
Weighted residual factors for all reflections included in the refinement | 0.1049 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/2311839.html
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