(6-Fluoro-2-oxo-2H-chromen-4-yl)methyl diethylcarbamodithioate
| Autor: | Chandra, Beeranahally H. Doreswamy, Shamantha Kumar, B.M. Rajesh, Nasseem El-Khatatneh, Madegowda Mahendra |
|---|---|
| Rok vydání: | 2017 |
| Předmět: |
crystal structure
chromene derivatives Stereochemistry Hydrogen bond Chemistry Maximum deviation Crystal structure Dihedral angle hydrogen bonding 010402 general chemistry 010403 inorganic & nuclear chemistry Ring (chemistry) 01 natural sciences offset π–π interactions 0104 chemical sciences Crystal carbamodithioate lcsh:QD901-999 Moiety lcsh:Crystallography |
| Zdroj: | IUCrData, Vol 2, Iss 1, p x162069 (2017) |
| ISSN: | 2414-3146 |
| DOI: | 10.1107/s2414314616020691 |
| Popis: | The title compound, C15H16FNO2S2, crystallizes with two independent molecules (AandB) in the asymmetric unit. They differ essentially in the orientation of the ethyl groups. The chromene rings are planar (r.m.s. deviations = 0.013 Å for both molecules), with the maximum deviation from the ring planes being 0.014 (2) and 0.018 (2) Å for atoms C9Aand C9B, respectively. The mean plane of the chromene ring makes dihedral angles of 80.01 (7) and 76.97 (8)° with the carbamodithioate moiety [(N—C(=S)—S] of moleculesAandB, respectively. In the crystal, the two molecules are linked by C—H...S hydrogen bonds, forming a ladder-like arrangement propagating along thea-axis direction. Within the ladders there are offset π–π interactions involving the coumarins rings of theBmolecules [intercentroid distances vary from 3.705 (2) to 3.860 (1) Å]. Neighbouring ladders are linkedviaoffset π–π interactions involving the coumarins rings of theAmolecules [intercentroid distances vary from 3.539 (1) to 3.601 (1) Å]. These latter interactions lead to the formation of layers parallel to theacplane. |
| Databáze: | OpenAIRE |
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