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CIF Information Card
Information card for 2010615
2010614 << 2010615 >> 2010616Preview
|
Coordinates |
2010615.cif |
|
Structure factors |
2010615.hkl |
Structure parameters
| Formula | - C13 H11 N S2 - |
| Calculated formula | - C13 H11 N S2 - |
| Title of publication | C≡C-H...N hydrogen bond in 3-methylthio-4-propargylthioquinoline |
| Authors of publication | Boryczka, Stanisław; Schreurs, Antoine M. M.; Kroon, Jan; Steiner, Thomas |
| Journal of publication | Acta Crystallographica, Section C |
| Year of publication | 2000 |
| Journal volume | 56 |
| Pages of publication | 263 - 264 |
| a | 7.448 ± 0.003 Å |
| b | 8.514 ± 0.003 Å |
| c | 9.786 ± 0.003 Å |
| α | 107.57 ± 0.03° |
| β | 100.99 ± 0.03° |
| γ | 94.57 ± 0.03° |
| Cell volume | 574.4 ± 0.4 Å3 |
| Cell temperature | 125 K |
| Ambient diffraction temperature | 123 K |
| Number of distinct elements | 4 |
| Hermann-Mauguin symmetry space group | P -1 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |