Crystal structure and Hirshfeld surface analysis of (E)-3-[(2,3-dichlorobenzylidene)amino]-5-phenylthiazolidin-2-iminium bromide
| Autor: | Flavien A. A. Toze, Ali N. Khalilov, Gulnara Sh. Duruskari, Mehmet Akkurt, Afat T Huseynova |
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| Jazyk: | angličtina |
| Rok vydání: | 2018 |
| Předmět: |
crystal structure
iminium salt Salt (chemistry) Crystal structure 010402 general chemistry Ring (chemistry) 01 natural sciences Crystal lcsh:Chemistry chemistry.chemical_compound Bromide Hirshfeld surface analysis General Materials Science chemistry.chemical_classification 010405 organic chemistry Hydrogen bond Iminium General Chemistry Condensed Matter Physics hydrogen bonding Condensed Matter::Mesoscopic Systems and Quantum Hall Effect 2 3-dichlorobenzene 0104 chemical sciences Crystallography chemistry lcsh:QD1-999 Halogen thiazolidine ring |
| Zdroj: | Acta Crystallographica Section E: Crystallographic Communications, Vol 74, Iss 8, Pp 1168-1172 (2018) |
| Popis: | In the cation of the title salt, C16H14Cl2N3S+·Br−, the central thiazolidine ring adopts an envelope conformation. The phenyl ring is disordered over two sites with a refined occupancy ratio of 0.541 (9):0.459 (9). In the crystal, C—H...Br and N—H...Br hydrogen bonds link the components into a three-dimensional network with the cations and anions stacked along theb-axis direction. Weak C—H...π interactions, which only involve the minor disorder component of the ring, also contribute to the molecular packing. In addition, there are also inversion-related Cl...Cl halogen bonds and C—Cl...π (ring) contacts. A Hirshfeld surface analysis was conducted to verify the contributions of the different intermolecular interactions. |
| Databáze: | OpenAIRE |
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