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

被引:15
作者
Akkurt, Mehmet [1 ]
Duruskari, Gulnara Sh. [2 ]
Toze, Flavien A. A. [3 ]
Khalilov, Ali N. [2 ]
Huseynova, Afat T. [2 ]
机构
[1] Erciyes Univ, Dept Phys, Fac Sci, TR-38039 Kayseri, Turkey
[2] Baku State Univ, Organ Chem Dept, Z Xalilov Str 23, AZ-1148 Baku, Azerbaijan
[3] Univ Douala, Dept Chem, Fac Sci, POB 24157, Douala, Cameroon
关键词
crystal structure; iminium salt; thiazolidine ring; 2,3-dichlorobenzene; hydrogen bonding; Hirshfeld surface analysis;
D O I
10.1107/S2056989018010496
中图分类号
O7 [晶体学];
学科分类号
0702 ; 070205 ; 0703 ; 080501 ;
摘要
In the cation of the title salt, C16H14Cl2N3S+center dot 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 center dot center dot center dot Br and N-H center dot center dot center dot 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 center dot center dot center dot pi 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 center dot center dot center dot Cl halogen bonds and C-Cl center dot center dot center dot pi (ring) contacts. A Hirshfeld surface analysis was conducted to verify the contributions of the different intermolecular interactions.
引用
收藏
页码:1168 / +
页数:11
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