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

页码：537 / +

页数：12

共 50 条

[21] Synthesis, crystal structure and Hirshfeld surface analysis of (1H-benzimidazol-2-yl)(morpholin-4-yl)methanethione
Mutalliev, Lukmonjon Z.
Abdullaev, Sirojiddin
Pirnazarova, Nasiba
Obidova, Ibodat
Turgunov, Kambarali
Yakubov, Ubaydullo
Ashurov, Jamshid M.
Elmuradov, Burkhan Zh
Mamadrakhimov, Azimjon A.
ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, 2022, 78 : 999 - +
[22] Synthesis, crystal structure and Hirshfeld surface analysis of [1-(4-bromophenyl)-1H-1,2,3-triazol-4-yl]methyl 2-(4-nitrophenoxy)acetate
Hakimov, Muminjon
Khozhimatova, Shakhnoza
Ortikov, Ilkhomjon
Abdugafurov, Ibragimdjan
Tojiboev, Akmaljon
ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, 2024, 80 : 910 - +
[23] 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 - +
[24] Synthesis and crystal structure, Hirshfeld surface analysis, and DFT calculation of 2-((4-(1-benzyl-2-methyl-4-nitro-1 H -imidazol-5-yl)piperazin-1-yl)methyl)-5-phenyl-1,3,4-oxadiazole
Rasras, Anas J.
-Far, Rawhi H. Al
Younes, Eyad A.
Shakdofa, Mohamad M.
Al-Rifai, Nafisah M.
JOURNAL OF MOLECULAR STRUCTURE, 2023, 1280
[25] 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 - +
[26] 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 - +
[27] Synthesis, crystal structure and Hirshfeld surface analysis of 5-oxo-N-phenyl-3-(thiophen-2-yl)-2,3,4,5-tetrahydro-[1,1′-biphenyl]-4-carboxamide
Aliyeva, Khatira N.
Hokelek, Tuncer
Khrustalev, Victor N.
Rzayev, Rovnag M.
Bhattarai, Ajaya
Maharramov, Abel M.
Shikhaliyev, Namig G.
ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, 2025, 81 : 177 - +
[28] 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
[29] The synthesis and crystal structure of (E)-2-{[(4-methoxynaphthalen-1-yl)methylidene]-amino}-4-methylphenol: Hirshfeld surface analysis, DFT calculations and anticorrosion studies
Yahiaoui, Ahmed Abderrahim
Ghichi, Nadir
Hannachi, Douniazed
Mezhoud, Bilel
Djedouani, Amel
Kraim, Khairedine
Crochet, Aurelien
Stoeckli-Evans, Helen
ACTA CRYSTALLOGRAPHICA SECTION C-STRUCTURAL CHEMISTRY, 2023, 79 : 324 - +
[30] 3-Methyl-1-{(E)-[1-(4-methylpyridin-2-yl)ethyl-idene]amino}thiourea: crystal structure and Hirshfeld surface analysis
Lai, Lee Chin
Rahman, Che Nursarah Binti Che Abdul
Tahir, M. Ibrahim M.
Ravoof, Thahira B. S. A.
Jotani, Mukesh M.
Tiekink, Edward R. T.
ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, 2018, 74 : 256 - +

← 1 2 3 4 5 →