Crystal structure and Hirshfeld surface analysis of (E)-3-[(2,3-dichlorobenzylidene)amino]-5-phenylthiazolidin-2-iminium bromide

Acta Crystallographica Section E: Crystallographic Communications

卷:74

Flavien A. A. Toze¹  Mehmet Akkurt²  Afat T. Huseynova³  Gulnara Sh. Duruskari³  Ali N. Khalilov³ 

[1] Department of Chemistry, Faculty of Sciences, University of Douala, PO Box 24157, Douala, Republic of Cameroon;

[2] Department of Physics, Faculty of Sciences, Erciyes University, 38039 Kayseri, Turkey;

[3] Organic Chemistry Department, Baku State University, Z. Xalilov str. 23, Az, 1148 Baku, Azerbaijan;

关键词: crystal structure;    iminium salt;    thiazolidine ring;    2,3-dichlorobenzene;    hydrogen bonding;    Hirshfeld surface analysis;   

DOI  :  10.1107/S2056989018010496

来源: DOAJ

【 摘 要 】

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 the b-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.

【 授权许可】

Unknown