Crystal structure and Hirshfeld surface analysis of 3-benzyl-2-[bis(1H-pyrrol-2-yl)methyl]thiophene

被引:0
作者
Sadikhov, Nurlana D. [1 ]
Atioglu, Zeliha [2 ]
Guliyeva, Narmina A. [3 ]
Shelukho, Evgeniya R. [4 ]
Polyanskaya, Darya K. [4 ]
Khrustalev, Victor N. [4 ,5 ]
Akkurt, Mehmet [6 ]
Bhattarai, Ajaya [7 ]
机构
[1] Baku State Univ, Dept Organ Chem, AZ-1148 Baku, Azerbaijan
[2] Cappadocia Univ, Sch Appl Sci, Dept Aircraft Elect & Elect, TR-50420 Mustafapasa, Turkiye
[3] Azerbaijan State Oil & Ind Univ, Dept Organ Subst & Technol High Mol Cpds, SRI Geotechnol Problems Oil Gas & Chem, Azadlig Ave 20, AZ-1010 Baku, Azerbaijan
[4] RUDN Univ, 6 Miklukho Maklaya St, Moscow 117198, Russia
[5] RAS, Zelinsky Inst Organ Chem, 4,7 Leninsky Prospect, Moscow 119991, Russia
[6] Erciyes Univ, Dept Phys, Fac Sci, TR-38039 Kayseri, Turkiye
[7] MMAMC Tribhuvan Univ, Dept Chem, Biratnagar, Nepal
关键词
crystal structure; thiophene ring; 1H-pyrrole ring; hydrogen bonds; Hirshfeld surface analysis;
D O I
10.1107/S2056989023010800
中图分类号
O7 [晶体学];
学科分类号
0702 ; 070205 ; 0703 ; 080501 ;
摘要
In the title compound, C20H18N2S, the asymmetric unit comprises two similar molecules (A and B). In molecule A, the central thiophene ring makes dihedral angles of 89.96 (12) and 57.39 (13)degrees with the 1H-pyrrole rings, which are bent at 83.22 (14)degrees relative to each other, and makes an angle of 85.98 (11)degrees with the phenyl ring. In molecule B, the corresponding dihedral angles are 89.49 (13), 54.64 (12)degrees, 83.62 (14)degrees and 85.67 (11)degrees, respectively. In the crystal, molecular pairs are bonded to each other by N-H center dot center dot center dot N interactions. N-H center dot center dot center dot pi and C-H center dot center dot center dot pi interactions further connect the molecules, forming a three-dimensional network. A Hirshfeld surface analysis indicates that H center dot center dot center dot H (57.1% for molecule A; 57.3% for molecule B), C center dot center dot center dot H/H center dot center dot center dot C (30.7% for molecules A and B) and S center dot center dot center dot H/H center dot center dot center dot S (6.2% for molecule A; 6.4% for molecule B) interactions are the most important contributors to the crystal packing.
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页码:72 / +
页数:14
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