Crystal structure and Hirshfeld surface analysis of (Z)-4-({[2-(benzo[b]thiophen-3-yl)cyclopent-1-en-1-yl]methyl}(phenyl)amino)-4-oxobut-2-enoic acid

被引：0
|
作者：
Yakovleva, Elizaveta D. [1 ]
Shelukho, Evgeniya R. [1 ]
Grigoriev, Mikhail S. [2 ]
Hasanov, Khudayar I. [3 ,4 ]
Sadikhova, Nurlana D. [5 ]
Akkurt, Mehmet [6 ]
Bhattarai, Ajaya [7 ]
机构：
[1] RUDN Univ, 6 Miklukho Maklaya St, Moscow 117198, Russia
[2] Russian Acad Sci, Frumkin Inst Phys Chem & Electrochem, Leninskiy Prospect 31-4, Moscow 119071, Russia
[3] Western Caspian Univ, Istiqlaliyyat St 31, AZ-1001 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] Erciyes Univ, Dept Phys, Fac Sci, TR-38039 Kayseri, Turkiye
[7] MMAMC Tribhuvan Univ, Dept Chem, Biratnagar, Nepal
来源：
ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS | 2024年 / 80卷
基金：
俄罗斯科学基金会;
关键词：
crystal structure; acylation; thienylallylamine; maleic acid amide; weak interaction; Hirshfeld surface analysis; IMDAV REACTION; QUANTITATIVE-ANALYSIS; COORDINATION; IRON(III);
D O I：
10.1107/S2056989024003232
中图分类号：
O7 [晶体学];
学科分类号：
0702 ; 070205 ; 0703 ; 080501 ;
摘要：
In the title compound, C24H21NO3S, the cyclopentene ring adopts an envelope conformation. In the crystal, molecules are linked by C-H center dot center dot center dot pi interactions, forming ribbons along the a axis. Intermolecular C-H center dot center dot center dot O hydrogen bonds connect these ribbons to each other, forming layers parallel to the (0 (1) over bar1) plane. The molecular packing is strengthened by van der Waals interactions between the layers. The intermolecular contacts were quantified using Hirshfeld surface analysis and two-dimensional fingerprint plots, revealing the relative contributions of the contacts to the crystal packing to be H center dot center dot center dot H 46.0%, C center dot center dot center dot H/H center dot center dot center dot C 21.1%, O center dot center dot center dot H/H center dot center dot center dot O 20.6% and S center dot center dot center dot H/H center dot center dot center dot S 9.0%.
引用
收藏
页码：537 / +
页数：12
相关论文
共 50 条
  • [31] Synthesis, crystal structure and Hirshfeld surface analysis of diethyl 2,6-dimethyl-4-(thiophen-3-yl)-1,4-dihydropyridine-3,5-dicarboxylate
    Trung Vu Quoc
    Duong Tran Thi Thuy
    Thanh Phung Ngoc
    Manh Vu Quoc
    Hien Nguyen
    Linh Duong Khanh
    Anh Tu Quang
    Van Meervelt, Luc
    ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, 2019, 75 : 1861 - +
  • [32] Synthesis and characterization of some 2-(1-phenyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl)4H-chromon-4-ones, 4-(2-hydroxyphenyl)-6-(1-phenyl-3-(thlophen-2-yl)-1H-pyrazol-4-yl)pyrimidine-2-(1H)-thione, 2-(5-(1-phenyl-3-(thlophen-2-yl)-1H-pyrazol-4-yl)-1H-pyrazol-3-yl)phenol and 2-(2,3-dihydro-2-(1phenyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl)-benzo[b][1,4]thiazepin-4-yl)-phenol
    More, M. S.
    Shingare, M. S.
    Kale, S. B.
    Dalvi, N. R.
    Karale, B. K.
    INDIAN JOURNAL OF CHEMISTRY SECTION B-ORGANIC CHEMISTRY INCLUDING MEDICINAL CHEMISTRY, 2007, 46 (02): : 360 - 365
  • [33] Crystal structure and Hirshfeld surface analysis of (E)-4-{[2-(4-hydroxybenzoyl)hydrazin-1-yl-idene]methyl}pyridin-1-ium nitrate
    Naziri, Mir AbolfazI
    Sahin, Ertan
    Hokelek, Tuncer
    ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, 2018, 74 : 323 - +
  • [34] Synthesis, crystal structure and Hirshfeld surface analysis of (3Z)-4-[(4-amino-1,2,5-oxadiazol-3-yl)-amino]-3-bromo-1,1,1-trifluorobut-3-en-2-one
    Guseinov, Firudin I.
    Celikesir, Sevim Turktekin
    Akkurt, Mehmet
    Ovsyannikov, Viacheslav O.
    Ugrak, Bogdan I.
    Lavrova, Oksana M.
    Samigullina, Aida I.
    Bhattarai, Ajaya
    ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, 2024, 80 : 582 - +
  • [35] Crystal structure and Hirshfeld analysis of 2-[bis(1-methyl-1H-indol-3-yl)methyl]benzoic acid
    Sapari, Suhaila
    Wong, Sheryn
    Ngatiman, Mohammad Fadzlee
    Misral, Huda
    Hasbullah, Siti Aishah
    ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, 2018, 74 : 1580 - +
  • [36] Crystal structure of 4-(2-(benzo[b]thiophen-2-yl)-3,3,4,4,5,5-hexafluorocyclopent-1-en-1-yl)-1,5-dimethyl-1H-pyrrole-2-carbonitrile, C20H12F6N2S
    Li, Ying
    ZEITSCHRIFT FUR KRISTALLOGRAPHIE-NEW CRYSTAL STRUCTURES, 2020, 235 (06): : 1457 - 1459
  • [37] N-(4-Methyl-3-((4-(pyridin-3-yl)pyrimidin-2-yl)amino)phenyl)-4-((4-methylpiperazin-1-yl)methyl)benzamide
    Korlyukov, Alexander A.
    Dorovatovskii, Pavel V.
    Vologzhanina, Anna V.
    MOLBANK, 2022, 2022 (04)
  • [38] Crystal structure of 4-{2-[4-(dimethylamino)phenyl]diazen-1-yl}-1-methylpyridinium iodide
    Chulvi, Katherine
    Costero, Ana
    Ochando, Luis E.
    Gavina, Pablo
    ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, 2015, 71 : O1069 - U1341
  • [39] 4-(4-Acetyl-5-methyl-1H-1,2,3-triazol-1-yl)benzonitrile: crystal structure and Hirshfeld surface analysis
    Zukerman-Schpector, Julio
    Dias, Cassio da S.
    Schwab, Ricardo S.
    Jotani, Mukesh M.
    Tiekink, Edward R. T.
    ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, 2018, 74 : 1195 - +
  • [40] Crystal structure and Hirshfeld surface analysis of 4-{[(anthracen-9-yl)methyl]amino}benzoic acid dimethylformamide monosolvate
    Ahmed, Adeeba
    Ahmad, Aiman
    Ahmad, Musheer
    Kalibabchuk, Valentina A.
    ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, 2020, 76 : 728 - +
12345