Crystal structure of ethyl 2-cyano-3-[(1-ethoxyethylidene)amino]-5-(3-methoxy-phenyl)-7-methyl-5H-1,3-thiazolo[3,2-a]-pyrimidine-6-carboxylate

被引:0
|
作者
Krishnamurthy, M. S. [1 ]
Begum, Noor Shahina [1 ]
机构
[1] Bangalore Univ, Dept Studies Chem, Cent Coll Campus, Bangalore 560001, Karnataka, India
关键词
crystal structure; pyrimidine; thiazolopyrimidine; thiazolo[3,2-a]pyrimidine; hydrogen bonding; pi-pi stacking interactions;
D O I
10.1107/S2056989015005241
中图分类号
O7 [晶体学];
学科分类号
0702 ; 070205 ; 0703 ; 080501 ;
摘要
In the title compound, C22H24N4O4S, the central pyrimidine ring adopts a sofa conformation with the ring -junction N atom displaced by 0.2358 (6) angstrom from the mean plane of the remaining ring atoms. The 3-methoxyphenyl ring, at the chiral C atom opposite the other N atom, is positioned axially and is inclined to the thiazolopyrimidine ring with a dihedral angle of 83.88 (7)degrees. The thiazole ring is essentially planar (r.m.s. deviation = 0.0034 A). In the crystal, pairs of weak C-H center dot center dot center dot O "0 hydrogen bonds link molecules related by twofold rotation axes to form R22(8) rings, which in turn are linked by weak C-H center dot center dot center dot N interactions, forming ribbons along [110]. In addition, pi-pi stacking interactions [centroid-centroid 2. distance = 3.5744 (15) angstrom] connect the ribbons, forming slabs lying parallel to (001).
引用
收藏
页码:O256 / U382
页数:10
相关论文
共 50 条
  • [1] Ethyl 3-ethoxycarbonylmethyl-7-methyl-5-phenyl-5H-thiazolo[3,2-a] pyrimidine-6-carboxylate
    Nagarajaiah, H.
    Begum, Noor Shahina
    ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, 2012, 68 : O2878 - +
  • [2] Ethyl 2-(2-acetoxybenzylidene)-7-methyl-3-oxo-5-phenyl-2,3-dihydro-5H-1,3-thiazolo[3,2-a]pyrimidine-6-carboxylate
    Jotani, Mukesh M.
    Baldaniya, Bharat B.
    Tiekink, Edward R. T.
    ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE, 2010, 66 : O762 - U1753
  • [3] Ethyl 2-[(Z)-3-chlorobenzylidene]-7-methyl-3-oxo-5-phenyl-2,3-dihydro-5H-1,3-thiazolo[3,2-a]pyrimidine-6-carboxylate
    Jotani, Mukesh M.
    Baldaniya, Bharat B.
    ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE, 2008, 64 : O739 - U1649
  • [4] Crystal structure of 2-acetyl-5-(3-methoxyphenyl)-3,7-dimethyl-5H-1,3-thiazolo[3,2-a]pyrimidine-6-carboxylate
    Prasad, N. L.
    Krishnamurthy, M. S.
    Nagarajaiah, H.
    Begum, Noor Shahina
    ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, 2014, 70 : O1204 - +
  • [5] Ethyl (2Z)-2-(3-methoxybenzylidene)-7-methyl-3-oxo-5-phenyl-2,3-dihydro-5H-1,3-thiazolo[3,2-a]pyrimidine-6-carboxylate
    Jotani, Mukesh M.
    Baldaniya, Bharat B.
    Jasinski, Jerry P.
    ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE, 2010, 66 : O599 - U4868
  • [6] Crystal structure of ethyl 2-(2-fluorobenzylidene)-5-(4-fluorophenyl)-7methyl-3-oxo-2,3-dihydro-5H-1,3-thiazolo[3,2-a]pyrimidine-6-carboxylate
    Krishnamurthy, M. S.
    Begum, Noor Shahina
    ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, 2014, 70 : O1270 - +
  • [7] Crystal structure, DFT study, and Hirshfeld surface analysis of ethyl 5-(3,4-dimethoxyphenyl)-7-methyl-3-phenyl-5H-thiazolo[ 3,2-A]pyrimidine-6-carboxylate
    A. Shelke
    N. N. Karade
    P. Kr. Dutta
    S. P. Bahekar
    H. S. Chandak
    Journal of Structural Chemistry, 2015, 56 : 1246 - 1252
  • [8] Crystal structure, DFT study, and Hirshfeld surface analysis of ethyl 5-(3,4-dimethoxyphenyl)-7-methyl-3-phenyl-5H-thiazolo[ 3,2-A]pyrimidine-6-carboxylate
    Shelke, A.
    Karade, N. N.
    Dutta, P. Kr.
    Bahekar, S. P.
    Chandak, H. S.
    JOURNAL OF STRUCTURAL CHEMISTRY, 2015, 56 (07) : 1246 - 1252
  • [9] Ethyl (2Z)-2-(2-chlorobenzylidene)-7-methyl-3-oxo-5-phenyl-2,3-dihydro-5H-1,3-thiazolo[3,2-a]pyrimidine-6-carboxylate
    Jotani, Mukesh M.
    Baldaniya, Bharat B.
    ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE, 2007, 63 : O1937 - O1939
  • [10] (2Z)-Ethyl 2-(4-chlorobenzylidene)-7-methyl-3-oxo-5-phenyl-2,3-dihydro-5H-1,3-thiazolo[3,2-a]pyrimidine-6-carboxylate
    Jotani, Mukesh M.
    Baldaniya, Bharat B.
    ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE, 2006, 62 : O5871 - O5873