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Information card for entry 7242131
Preview
Coordinates | 7242131.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C11 H15 Cl N2 O2 S |
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Calculated formula | C11 H15 Cl N2 O2 S |
Title of publication | Non-covalent interactions involving remote substituents influence the topologies of supramolecular chains featuring hydroxyl-O‒H⋯O(hydroxyl) hydrogen bonding in crystals of (HOCH2CH2)2NC(S)N(H)(C6H4Y-4) for Y = H, Me, Cl and NO2 |
Authors of publication | Tan, Sang Loon; Tiekink, Edward R. T. |
Journal of publication | CrystEngComm |
Year of publication | 2021 |
Journal volume | 23 |
Journal issue | 8 |
Pages of publication | 1723 - 1743 |
a | 7.1366 ± 0.0002 Å |
b | 10.7767 ± 0.0003 Å |
c | 16.6259 ± 0.0004 Å |
α | 90° |
β | 100.221 ± 0.002° |
γ | 90° |
Cell volume | 1258.39 ± 0.06 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
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 | 0.0365 |
Residual factor for significantly intense reflections | 0.0308 |
Weighted residual factors for significantly intense reflections | 0.075 |
Weighted residual factors for all reflections included in the refinement | 0.08 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7242131.html
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