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

被引：3

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

来源：

ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS | 2023年 / 79卷

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

页码：905 / +

页数：10

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