Crystal structure and Hirshfeld surface analysis of (E)-3-(2-chloro-4-fluorophenyl)-1-(2,5-dichlorothiophen-3-yl)prop-2-en-1-one

被引：3

作者：

Murthy, T. N. Sanjeeva ^{[1
]}

Naveen, S. ^{[2
]}

Kumar, C. S. Chidan ^{[3
]}

Veeraiah, M. K. ^{[4
]}

Ching Kheng Quah ^{[5
]}

Siddaraju, B. P. ^{[6
]}

Warad, Ismail ^{[7
]}

机构：

[1] Sri Siddhartha Acad Higher Educ, Dept Chem, Tumkur 572107, Karnataka, India

[2] Jain Univ, Sch Engn & Technol, Dept Phys, Bangalore 562112, Karnataka, India

[3] Visvesvaraya Technol Univ, Vidya Vikas Inst Engn & Technol, Dept Engn Chem, Mysuru 570028, Karnataka, India

[4] Sri Siddhartha Inst Technol, Dept Chem, Tumkur 572105, Karnataka, India

[5] Univ Sains Malaysia, Sch Phys, Xray Crystallog Unit, George Town 11800, Malaysia

[6] Cauvery Inst Technol, Dept Chem, Mandya 571402, Karnataka, India

[7] An Najah Natl Univ, Sci Coll, Dept Chem, POB 7, Nablus, West Bank, Palestine

来源：

ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS | 2018年 / 74卷

关键词：

Thiophene chalcone; crystal structure; R-2(2)(8) ring motif; hydrogen bonding; Hirshfeld surface analysis;

D O I：

10.1107/S2056989018010216

中图分类号：

O7 [晶体学];

学科分类号：

0702 ; 070205 ; 0703 ; 080501 ;

摘要：

In the title chalcone thiophene derivative, C13H6Cl3FOS, the aromatic rings are inclined to one another by 12.9 (2)degrees, and the thiophene ring is affected by pi-conjugation. In the crystal, molecules are linked by C-H center dot center dot center dot F hydrogen bonds, forming an R-2(2)(8) ring motif. A Hirshfeld surface analysis was conducted to verify the contribution of the different intermolecular interactions. The shape-index surface clearly shows that the two sides of the molecules are involved in the same contacts with neighbouring molecules and the curvedness plots show flat surface patches characteristic of planar stacking.

引用

页码：1134 / +

页数：8

共 50 条

[41] Crystal structure, Hirshfeld surface analysis and PIXEL calculations of the monohydrate of (E)-3-(2-hydroxy-5-methoxyphenyl)-1-(2-hydroxy-4-methoxyphenyl)prop-2-en-1-one: occurrence of π interactions
Gomes, Ligia R.
Low, John N.
Turner, Alan B.
Wardell, James L.
ZEITSCHRIFT FUR NATURFORSCHUNG SECTION B-A JOURNAL OF CHEMICAL SCIENCES, 2021, 76 (01): : 27 - 38
[42] Structural Characterization of a New Chalcone Compound Containing a Thiophene Moiety: (E)-3-(5-Bromothiophen-2-YL)-1-(2,5-Dichlorothiophen-3-YL)-2-Propen-1-One
Delgado, G. E.
Henao, J. A.
Quintana, J. H.
Al-Maqtari, H. M.
Jamalis, J.
Sirat, H. M.
JOURNAL OF STRUCTURAL CHEMISTRY, 2018, 59 (06) : 1440 - 1445
[43] Synthesis, crystal structure, Hirshfeld surface analysis, energy frameworks, and DFT calculations of (2e)-3-(dimethylamino)-1-[5-methyl-1-(4-nitrophenyl)-1h-1,2,3-triazol-4-yl]prop-2-en-1-one
Usha, M. K.
Lohith, T. N.
Manjula, M.
Shetty, Shobhitha
Kalluraya, Balakrishna
Revannasiddaiah, D.
Sridhar, M. A.
MOLECULAR CRYSTALS AND LIQUID CRYSTALS, 2024, 768 (06) : 11 - 26
[44] Crystal structure of (Z)-3-[5-chloro-2-(prop-2-ynyloxy)phenyl]-3-hydroxy-1-[4-(trifluoromethyl)phenyl]prop-2-en-1-one
Dalal, Aarti
Kamboj, Ramesh C.
Kumar, Dinesh
Sharma, Mahendra Kumar
Selvarajan, Nagendran
ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, 2015, 71 : O556 - +
[45] Crystal structure and Hirshfeld surface analysis of (2E,2′E)-1,1′-[selenobis(4,1 -phenylene)]bis[3-(4-chlorophenyl)prop-2-en-1 -one]
Bouraoui, Hazem
Mechehoud, Youcef
Chetioui, Souheyla
Touzani, Rachid
Medjani, Meriem
Benmilat, Ahmed
Boudjada, Ali
ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, 2019, 75 : 1724 - +
[46] Crystal structure and theoretical study of (2E)-1-[4-hydroxy-3-(morpholin-4-ylmethyl)-phenyl]-3-(thiophen-2-yl)prop-2-en-1-one
Yesilyurt, Fatma
Aydin, Abdullah
Gul, Halise Inci
Akkurt, Mehmet
Ozcelik, Nefise Dilek
ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, 2018, 74 : 960 - +
[47] Structural Characterization of a New Chalcone Compound Containing a Thiophene Moiety: (E)-3-(5-Bromothiophen-2-YL)-1- (2,5-Dichlorothiophen-3-YL)-2-Propen-1-One
G. E. Delgado
J. A. Henao
J. H. Quintana
H. M. Al-Maqtari
J. Jamalis
H. M. Sirat
Journal of Structural Chemistry, 2018, 59 : 1440 - 1445
[48] Unexpected formation of a co-crystal containing the chalcone (E)-1-(5-chlorothiophen-2-yl)-3-(3-methylthiophen-2-yl)prop-2-en-1-one and the ketoenol tautomer (Z)-1-(5-chlorothiophen-2-yl)-3-(3-methylthiophen-2-yl)prop-1-en-1-ol
Al-Refai, Mahmoud
Ali, Basem F.
Geyer, Armin
Harms, Klaus
Marsch, Michael
ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, 2020, 76 : 477 - +
[49] Synthesis, structural investigation and computational analysis on a new chalcone derivative: (E )-1-(benzo[ d ][1,3] dioxol-5-yl)-3-(2-chloro-6-fluorophenyl)prop-2-en-1-one
Norwawi, Nurul Husna
Johari, Siti Nor Fatihah
Nizar, Siti Nabilla Aliya Mohd
Rahman, Siti Noor Farhana Ab
Anizaim, Ainizatul Husna
Razak, Ibrahim Abdul
Arshad, Suhana
CHEMICAL DATA COLLECTIONS, 2022, 38
[50] Covalent Modification of p53 by (E)-1-(4-Methylpiperazin-1-yl)-3-(5-nitrofuran-2-yl)prop-2-en-1-one
Brown, Kate
Robello, Marco
Perciaccante, Andrew J.
Dinan, Jerry C.
Maity, Tapan K.
Lyons, Gaelyn C.
Kumar, Jay P.
Durell, Stewart R.
Tagad, Harichandra D.
Schilling, Daniel
Nikolayevskiy, Herman
O'Connor, Robert
Appella, Ettore
Appella, Daniel H.
Jenkins, Lisa M.
ACS PHARMACOLOGY & TRANSLATIONAL SCIENCE, 2024, 7 (11) : 3559 - 3572

← 1 2 3 4 5 →