Crystal structure and Hirshfeld surface analysis of 4-azido-2-(3,5-dimethylphenyl)-5-(4-nitrophenyl)-2H-1,2,3-triazole

被引:1
|
作者
Maharramov, Abel [1 ]
Shikhaliyev, Namiq Q. [1 ]
Abdullayeva, Afaq [1 ]
Atakishiyeva, Gulnar T. [1 ]
Niyazova, Ayten [2 ]
Khrustalev, Victor N. [3 ,4 ]
Gahramanova, Shahnaz I. [5 ]
Atioglu, Zeliha [6 ]
Akkurt, Mehmet [7 ]
Bhattarai, Ajaya [8 ]
机构
[1] Baku State Univ, Organ Chem Dept, Z Khalilov Str 23, AZ-1148 Baku, Azerbaijan
[2] Azerbaijan State Univ Econ, Dept Engn & Appl Sci, M Mukhtarov 194, AZ-1001 Baku, Azerbaijan
[3] RUDN Univ, Peoples Friendship Univ Russia, Miklukho Maklay St 6, Moscow 117198, Russia
[4] ND Zelinsky Inst Organ Chem RAS, Leninsky Prosp 47, Moscow 119991, Russia
[5] Inst Catalysis & Inorgan Chem, 113 H Javid Ave, AZ-1143 Baku, Azerbaijan
[6] Cappadocia Univ, Sch Appl Sci, Dept Aircraft Elect & Elect, 50420 Urgup, Nevsehir, Turkiye
[7] Erciyes Univ, Dept Phys, Fac Sci, TR-38039 Kayseri, Turkiye
[8] MMAMC Tribhuvan Univ Biratnagar, Dept Chem, Biratnagar, Nepal
关键词
crystal structure; hydrogen bonds; azido group; 2H-1,2,3-triazole; Hirshfeld surface analysis; ENANTIOSELECTIVE MICHAEL ADDITION; EFFICIENT SYNTHESIS; HYDROGEN-BONDS; TRIAZOLE; HALOGEN; DESIGN;
D O I
10.1107/S2056989023007855
中图分类号
O7 [晶体学];
学科分类号
0702 ; 070205 ; 0703 ; 080501 ;
摘要
In the title compound, C16H13N7O2, the 3,5-dimethylphenyl and 4-nitrophenyl rings are inclined to the central 2H-1,2,3-triazole ring by 1.80 (7) and 1.79 (7)degrees, respectively, and to one another by 2.16 (7)degrees. In the crystal, the molecules are linked by C-H center dot center dot center dot N hydrogen bonds and pi-pi stacking interactions [centroid-to-centroid distances = 3.7295 (9) and 3.7971 (9) angstrom], forming ribbons along the b-axis direction. These ribbons are connected to each other by weak van der Waals interactions and the stability of the crystal structure is ensured. A Hirshfeld surface analysis of the crystal structure indicates that the most important contributions to the crystal packing are from H...H (31.5%), N center dot center dot center dot H/H center dot center dot center dot N (19.2%), O center dot center dot center dot H/H center dot center dot center dot O (14.5%), N center dot center dot center dot C/C center dot center dot center dot C (10.9%) and C center dot center dot center dot H/H center dot center dot center dot C (10.2%) contacts.
引用
收藏
页码:905 / +
页数:10
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