Crystal structure and Hirshfeld surface analysis of 1-[6-bromo-2-(3-bromophenyl)-1,2,3,4-tetrahydroquinolin-4-yl]pyrrolidin-2-one

被引：0

作者：

Pronina, Anastasia A. ^{[1
]}

Kutasevich, Alexandra G. ^{[1
]}

Grigoriev, Mikhail S. ^{[2
]}

Hasanov, Khudayar I. ^{[3
,4
]}

Sadikhova, Nurlana D. ^{[5
]}

Javadzade, Tahir A. ^{[6
]}

Akkurt, Mehmet ^{[7
]}

Bhattarai, Ajaya ^{[8
]}

机构：

[1] RUDN Univ, 6 Miklukho Maklaya St, Moscow 117198, Russia

[2] Russian Acad Sci, Frumkin Inst Phys Chem & Elect, Leninskiy Prospect 31-4, Moscow 119071, Russia

[3] Western Caspian Univ, Istiqlaliyyat St 31,AZ1001, Baku, Azerbaijan

[4] Azerbaijan Med Univ, Sci Res Ctr SRC, A Kasumzade St 14 AZ 1022, Baku, Azerbaijan

[5] Baku State Univ, Dept Chem, Z Xalilov Str 23,Az 1148, Baku, Azerbaijan

[6] Khazar Univ, Dept Chem & Chem Engn, Mahsati St 41,AZ 1096, Baku, Azerbaijan

[7] Erciyes Univ, Dept Phys, Fac Sci, Kayseri 38039, Turkiye

[8] Tribhuvan Univ, MMAMC, Dept Chem, Biratnagar, Nepal

来源：

ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS | 2024年 / 80卷

关键词：

crystal structure; hydrogen bonds; the Povarov method; tetrahydroquinoline; Hirshfeld surface analysis;

D O I：

10.1107/S2056989024008144

中图分类号：

O7 [晶体学];

学科分类号：

0702 ; 070205 ; 0703 ; 080501 ;

摘要：

This study presents the synthesis, characterization and Hirshfeld surface analysis of 1-[6-bromo-2-(3-bromophenyl)-1,2,3,4-tetrahydroquinolin-4-yl]pyrrolidin-2-one, C19H18Br2N2O. In the title compound, the pyrrolidine ring adopts a distorted envelope configuration. In the crystal, molecules are linked by intermolecular N-H center dot center dot center dot O, C-H center dot center dot center dot O and C-H center dot center dot center dot Br hydrogen bonds, forming a three-dimensional network. In addition, pairs of molecules along the c axis are connected by C-H center dot center dot center dot pi interactions. According to a Hirshfeld surface study, H center dot center dot center dot H (36.9%), Br center dot center dot center dot H/H center dot center dot center dot Br (28.2%) and C center dot center dot center dot H/H center dot center dot center dot C (24.3%) interactions are the most significant contributors to the crystal packing.

引用

页码：967 / +

页数：11

共 50 条

[21] Crystal structure and Hirshfeld surface analysis of (E)-3-(2-chloro-6-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)prop-2-en-1-one [J].

Hassan, Nur Hafiq Hanif ;

Abdullah, Amzar Ahlami ;

Arshad, Suhana ;

Khalib, Nuridayanti Che ;

Razak, Ibrahim Abdul .

ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, 2016, 72 :716-+

[22] S-Benzyl 3-[1-(6-methylpyridin-2-yl)ethylidene]-dithiocarbazate: crystal structure and Hirshfeld surface analysis [J].

Omar, Siti Aminah ;

Chah, Chee Keong ;

Ravoof, Thahira B. S. A. ;

Jotani, Mukesh M. ;

Tiekink, Edward R. T. .

ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, 2018, 74 :261-+

[23] Crystal structure of 2-(3-bromophenyl)-1,3-dithiane [J].

Zukerman-Schpector, Julio ;

Caracelli, Ignez ;

Stefani, Helio A. ;

Gozhina, Olga ;

Tiekink, Edward R. T. .

ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, 2015, 71 :O179-+

[24] Crystal structure and Hirshfeld surface analysis of 3-(3-hydroxyphenyl)-1-(1H-pyrrol-2-yl)prop-2-en1-one hemihydrate [J].

Ismail, Ahmad Zaidi ;

Gunasekharan, Mohanapriya ;

Karunakaran, Thiruventhan ;

Faudzi, Siti Munirah Mohd .

ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, 2023, 79 :287-+

[25] Crystal structure of 1-{4-hydroxy-3-[(pyrrolidin-1-yl)methyl]phenyl}-3-phenylprop-2-en-1-one [J].

Aydin, Abdullah ;

Akkurt, Mehmet ;

Gul, Halise Inci ;

Yerdelen, Kadir Ozden ;

Celik, Raziye Catak .

ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, 2016, 72 :696-+

[26] 2-[(4-Bromophenyl)sulfanyl]-2-methoxy-1-phenylethan-1-one: crystal structure, Hirshfeld surface analysis and computational chemistry [J].

Caracelli, Ignez ;

Zukerman-Schpector, Julio ;

Traesel, Henrique J. ;

Olivato, Paulo R. ;

Jotani, Mukesh M. ;

Tiekink, Edward R. T. .

ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, 2019, 75 :816-+

[27] N-(6-Methoxypyridin-2-yl)-1-(pyridin-2-ylmethyl)-1H-pyrazole-3-carboxamide: crystal structure and Hirshfeld surface analysis [J].

Ramani, Vivek C. ;

Shah, Rina D. ;

Jotani, Mukesh M. ;

Tiekink, Edward R. T. .

ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, 2018, 74 :1254-+

[28] Crystal structure and Hirshfeld surface analysis of 3-phenyl-1-{3-[(3-phenylquinoxalin-2-yl)oxy]propyl}-1,2-dihydroquinoxalin-2-one [J].

Abad, Nadeem ;

Mague, Joel T. ;

Alsubari, Abdulsalam ;

Essassi, El Mokhtar ;

Alzahrani, Abdullah Yahya Abdullah ;

Ramli, Youssef .

ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, 2024, 80 :300-+

[29] Crystal structure, Hirshfeld surface analysis, and molecular dynamics simulations of two isostructural N-propargyl-4-(2-oxopyrrolidin-1-yl)-1,2,3,4-tetrahydroquinolines [J].

Guiza, Fausto M. ;

Rodriguez-Nunez, Yeray A. ;

Ramirez, David ;

Romero Bohorquez, Arnold R. ;

Antonio Henao, Jose ;

Toro, Robert A. ;

Miguel Delgado, Jose ;

Diaz de Delgado, Graciela .

JOURNAL OF MOLECULAR STRUCTURE, 2022, 1254

[30] Crystal structure and Hirshfeld surface analysis of (2E)-1-phenyl-3-(1H-pyrrol-2-yl)propen-1-one [J].

Safarova, Ayten S. ;

Khalilov, Ali N. ;

Akkurt, Mehmet ;

Maharramov, Abel M. ;

Bhattarai, Ajaya ;

Naghiyev, Farid N. ;

Mamedov, Ibrahim G. .

ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, 2024, 80 :191-+

← 1 2 3 4 5 →