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Information card for entry 1551662
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Coordinates | 1551662.cif |
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Original paper (by DOI) | HTML |
Chemical name | 2-Amino-4,5,6,7-tetrahydrobenzo[b]thiophene- 3-carbonitrile |
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Formula | C9 H10 N2 S |
Calculated formula | C9 H10 N2 S |
Title of publication | Asymmetric Molecules in the Polymorph of 2-Amino-4,5,6,7-tetrahydrobenzo-[b]thiophene-3-carbonitrile |
Authors of publication | SHARMA, Ratika; ANTHAL, Sumati; PRAKASH, V.; SARAVANAN, J.; GUPTA, Vivek K.; KANT, Rajni |
Journal of publication | X-ray Structure Analysis Online |
Year of publication | 2014 |
Journal volume | 30 |
Journal issue | 0 |
Pages of publication | 5 |
a | 13.3994 ± 0.0011 Å |
b | 17.017 ± 0.0016 Å |
c | 7.9319 ± 0.0008 Å |
α | 90° |
β | 90.051 ± 0.009° |
γ | 90° |
Cell volume | 1808.6 ± 0.3 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0929 |
Residual factor for significantly intense reflections | 0.0591 |
Weighted residual factors for significantly intense reflections | 0.1341 |
Weighted residual factors for all reflections included in the refinement | 0.1584 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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