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

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

共 50 条

[1] CRYSTAL STRUCTURE AND HIRSHFELD SURFACE ANALYSIS OF 4AZIDO-2-(4-METHOXYPHENYL)-5-(2-NITROPHENYL)-2H-1,2,3-TRIAZOLE SYNTHESIZED ON THE BASIS OF DIBROMODIAZADIENE
Abdullayeva, Afag A.
Ahmedova, Nigar E.
Atakishiyeva, Gulnar T.
Ahmedova, Irada C.
Babazade, Bakhtiyar M.
Akkurt, Mehmet
Maharramov, Abel M.
Shikhaliyev, Namiq Q.
NEW MATERIALS COMPOUNDS AND APPLICATIONS, 2024, 8 (02): : 149 - 161
[2] MOLECULAR DOCKING OF 4-AZIDO-2-(4-SUBSTITUTED-PHENYL)-5-(2NITROPHENYL)-2H-1,2,3-TRIAZOLES
Abdullayeva, Afaq A.
Ahmadova, Nigar E.
Atakishiyeva, Gulnar T.
Zeynalli, Nazrin R.
Shikhaliyeva, Irada M.
Ibrahimova, Shafiga A.
Ahmadova, Irada J.
Shikhaliyev, Namiq Q.
Maharramov, Abel A.
NEW MATERIALS COMPOUNDS AND APPLICATIONS, 2024, 8 (01): : 5 - 12
[3] Comparison of crystal structures of 4-(benzo[b]thiophen-2-yl)-5-(3,4,5-trimethoxyphenyl)-2H-1,2,3-triazole and 4-(benzo[b] thiophen-2-yl)-2-methyl-5-(3,4,5-trimethoxyphenyl)-2H-1,2,3-triazole
Penthala, Narsimha Reddy
Madadi, Nikhil Reddy
Bommagani, Shobanbabu
Parkin, Scan
Crooks, Peter A.
ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, 2014, 70 : 392 - +
[4] Crystal structure and Hirshfeld surface analysis of 2-(4-nitrophenyl)-2-oxoethyl benzoate
Sheshadri, S. N.
Kumar, C. S. Chidan
Naveen, S.
Veeraiah, M. K.
Reddy, Kakarla Raghava
Warad, Ismail
ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, 2019, 75 : 1719 - +
[5] Crystal structure and Hirshfeld surface analysis of 2-(4-nitrophenyl)-2-oxoethyl picolinate
Murthy, T. N. Sanjeeva
Kumar, C. S. Chidan
Naveen, S.
Veeraiah, M. K.
Reddy, Kakaria Raghava
Warad, Ismail
ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, 2019, 75 : 1763 - +
[6] Crystal structure of 4,5-bis(3,4,5-trimethoxyphenyl)-2H-1,2,3-triazole methanol monosolvate
Madadi, Nikhil Reddy
Penthala, Narsimha Reddy
Bommagani, Shobanbabu
Parkin, Sean
Crooks, Peter A.
ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, 2014, 70 : O1128 - +
[7] Crystal structure and Hirshfeld surface analysis of 3-[2-(3,5-dimethylphenyl)hydrazinylidene]benzofuran-2(3H)-one
Atioglu, Zeliha
Akkurt, Mehmet
Shikhaliyev, Namiq Q.
Askerova, Ulviyya F.
Mukhtarova, Sevinc H.
Askerov, Rizvan K.
Bhattarai, Ajaya
ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, 2021, 77 : 1280 - +
[8] Crystal structure and Hirshfeld surface analysis of 2-(4-nitrophenyl)-2-oxoethyl 2-chlorobenzoate
Sheshadri, S. N.
Kumar, C. S. Chidan
Naveen, S.
Veeraiah, M. K.
Reddy, Kakarla Raghava
Warad, Ismail
ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, 2019, 75 : 1792 - +
[9] 2-Methyl-4-(4-nitrophenyl)but-3-yn-2-ol: crystal structure, Hirshfeld surface analysis and computational chemistry study
Caracelli, Ignez
Zukerman-Schpector, Julio
Schvvab, Ricardo S.
da Silva, Everton M.
Jotani, Mukesh M.
Tiekink, Edward R. T.
ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, 2019, 75 : 1232 - +
[10] 4-(4-Chlorophenyl)-5-(4-nitrophenyl)-3-phenyl-4H-1,2,4-triazole
Hu, Jing
Song, Hongguang
Chen, Guofeng
Ma, Guochun
ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE, 2008, 64 : O188 - U4195

← 1 2 3 4 5 →