Crystal structure of ethyl 5-(3-fluorophenyl)-2-[(4-fluorophenyl) methylidene]7-methyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

被引：6

作者：

Krishnamurthy, M. S. ^{[1
]}

Nagarajaiah, H. ^{[1
]}

Begum, Noor Shahina ^{[1
]}

机构：

[1] Bangalore Univ, Dept Studies Chem, Bangalore 560001, Karnataka, India

来源：

ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS | 2014年 / 70卷

关键词：

crystal structure; pyrimidine; thiazole; hydrogen bonds; pi-pi stacking interactions;

D O I：

10.1107/S1600536814023010

中图分类号：

O7 [晶体学];

学科分类号：

0702 ; 070205 ; 0703 ; 080501 ;

摘要：

In the title molecule, C23H18F2N2O3S, the pyrimidine ring is in a half-chair conformation and the 3-fluorophenyl group is in the axial position. The thiazole ring (r.m.s. deviation = 0.0252 angstrom) forms dihedral angles of 84.8 (7) and 9.6 (7)degrees with the 3-fluoro-substituted and 4-fluoro-substituted benzene rings, respectively. In the crystal, weak C-H center dot center dot center dot F and C-H center dot center dot center dot O hydrogen bonds connect molecules, forming zigzag chains along the b axis. In addition pi-pi stacking interactions with a centroid-centroid distance of 3.7633 (9) angstrom connect these chains into ladders via inversion-related 4-fluorophenyl groups.

引用

页码：O1187 / +

页数：10

共 50 条

[31] Crystal structure of 2-(4-chloro-3-fluorophenyl)-1H-benzimidazole
Krishnamurthy, M. S.
Begum, Noor Shahina
ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, 2015, 71 : O387 - U211
[32] Crystal structure of 5-chloro-2-(3-fluorophenyl)-3-methylsulfinyl-1-benzofuran
Choi, Hong Dae
Lee, Uk
ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, 2014, 70 : O991 - +
[33] Synthesis and Crystal Structures of Methyl 3-(Benzoylamino)-6-methyl-2-oxo-2H-pyran-5-carboxylate and N-[5-(3,4-Dimethoxyphenyl)-6-methyl-2-oxo-2H-pyran-3-yl]benzamide
Kranjc, Kristof
Juranovic, Amadej
Kocevar, Marijan
Perdih, Franc
JOURNAL OF CHEMICAL CRYSTALLOGRAPHY, 2012, 42 (05) : 443 - 449
[34] Crystal Structure of Triethyl 6-benzoyl-3a-(4-fluorophenyl)-2,3,3a,4,5,6-hexahydro-5-methyl-1H-pyro〔1,2-a〕〔1,5〕benzodiazepine-1,2-3-tricarboxylate
WANG HongZhong\ XU JiaXi\ MI BaoYu\ JIN Sheng* (College of Chemistry and Molecular Engineering
结构化学, 1999, (04) : 18 - 22
[35] Synthesis and Crystal Structures of Methyl 3-(Benzoylamino)-6-methyl-2-oxo-2H-pyran-5-carboxylate and N-[5-(3,4-Dimethoxyphenyl)-6-methyl-2-oxo-2H-pyran-3-yl]benzamide
Krištof Kranjc
Amadej Juranovič
Marijan Kočevar
Franc Perdih
Journal of Chemical Crystallography, 2012, 42 : 443 - 449
[36] Crystal structure of 5-[bis(methylsulfonyl)methyl]-1,3-dimethyl-5-(methylsulfonyl)pyrimidine-2,4,6(1H, 3H, 5H)-trione
Mallah, Eyad
Al-Sheikh, Ahmed
Sweidan, Kamal
Abu Dayyih, Wael
Steimann, Manfred
ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, 2015, 71 : O58 - +
[37] Crystal structures of 2-(2-bromo-5-fluorophenyl)-8-ethoxy-3-nitro-2H-thiochromene and 2-(2-bromo-5-fluorophenyl)-7-metnoxy-3-nitro-2H-thiochromene
Chien Thang Pham
Dinh Hung Mac
Thai Thanh Thu Bui
ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, 2019, 75 : 1783 - +
[38] Crystal structure of ethyl 6-methyl-2-oxo-4-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Novina, J. J.
Vasuki, G.
Suresh, M.
Padusha, M. Syed Ali
ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, 2015, 71 : O206 - +
[39] Synthesis,Crystal Structure and Biological Activity of 8-((4-((2,3-diaminopyridin-4-yl)oxy)-3-fluorophenyl)-amino)-2-(4-fluorophenyl)-3-methyl-2,7-naphthyridin-1(2H)-one
卓林胜
董欢
黄伟
赵兴俄
佘能芳
Chinese Journal of Structural Chemistry, 2014, (06) : 859 - 864
[40] Crystal structure of 5-chloro-1,3-bis[2-(2oxo-1,3-oxazolidin-3-yl)ethyl]-1H-benz-imidazol-2(3H)-one
Bouayad, Kaoutar
Rodi, Youssef Kandri
Ouzidan, Youness
Essassi, El Mukhtar
Saadi, Mohamed
El Ammari, Lahcen
ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, 2015, 71 : O735 - U307

← 1 2 3 4 5 →