Crystal structure of ethyl 6-methyl-2-sulfanylidene-4-(thiophen-2-yl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate

被引:0
|
作者
Suresh, M. [1 ]
Padusha, M. Syed Ali [1 ]
Novina, J. Josephine [2 ]
Vasuki, G. [3 ]
Viswanathan, Vijayan [4 ]
Velmurugan, Devadasan [4 ]
机构
[1] Jamal Mohamed Coll Autonomous, PG & Res Dept Chem, Tiruchirappalli 20, Tamil Nadu, India
[2] Idhaya Coll Women, Dept Phys, Kumbakonam 1, India
[3] Kunthavai Naachiar Govt Arts Coll W Autonomous, Dept Phys, Thanjavur 7, India
[4] Univ Madras, Ctr Adv Study Crystallog & Biophys, Madras 25, Tamil Nadu, India
关键词
crystal structure; pyrimidine; hydrogen bonding; C-H center dot center dot center dot pi interactions; conformation;
D O I
10.1107/S2056989014027741
中图分类号
O7 [晶体学];
学科分类号
0702 ; 070205 ; 0703 ; 080501 ;
摘要
In the title compound, C12H14N2O2S2, the dihydropyrimidine ring adopts a sofa conformation, with the C atom bearing the thienyl ring lying above the plane of the five remaining approximately coplanar (r.m.s. deviation = 0.0405 angstrom) atoms of the ring. The dihedral angle between the five near coplanar atoms of the ring and the thienyl ring is 89.78 (11)degrees. In the crystal, molecules are linked into a supramolecular chain along [100] via N-H center dot center dot center dot O(carbonyl) hydrogen bonds. Inversion- related chains are linked into double chains via N-H center dot center dot center dot S(thione) hydrogen bonds. The three-dimensional architecture also features methyl-thienyl C-H center dot center dot center dot pi interactions.
引用
收藏
页码:O81 / U324
页数:11
相关论文
共 50 条
  • [1] Ethyl 6-methyl-2-sulfanylidene-4-[4(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate
    Nayak, Susanta K.
    Venugopala, K. N.
    Govender, Thavendran
    Kruger, Hendrik G.
    Maguire, Glenn E. M.
    Row, T. N. Guru
    ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE, 2011, 67 : O1559 - U1766
  • [2] Ethyl 4-(1,3-benzodioxol-5-yl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
    Nayak, Susanta K.
    Venugopala, K. N.
    Govender, Thavendran
    Kruger, Hendrik G.
    Maguire, Glenn E. M.
    Row, Tayur N. Guru
    ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE, 2011, 67 : O3069 - U1716
  • [3] Crystal structure of ethyl 4-(2-fluoro-phenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
    Krishnamurthy, M. S.
    Begum, Noor Shahina
    ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, 2015, 71 : O699 - U139
  • [4] Crystal structure of methyl 4-(2-fluorophenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
    Krishnamurthy, M. S.
    Begum, Noor Shahina
    ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, 2015, 71 : O838 - U387
  • [5] Methyl 4-(4-hydroxyphenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
    Fathima, Nikhath
    Nagarajaiah, H.
    Begum, Noor Shahina
    ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, 2014, 70 : O306 - +
  • [6] Ethyl 3-acetyl-4-(3-methoxyphenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
    Fathima, Nikhath
    Nagarajaiah, H.
    Begum, Noor Shahina
    ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, 2012, 68 : O1555 - +
  • [7] Ethyl 6-methyl-2-oxo-4-phenyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate
    Mohideen, M. Nizam
    Pandi, A. Subbiah
    Rasheeth, A.
    Huq, C. A. M. A.
    Nizar, S. Syed
    ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE, 2008, 64 : O1752 - U1888
  • [8] Ethyl 6-methyl-2-oxo-4-phenyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate
    Cheng, Qing-Fang
    Xu, Xing-You
    Shi, Peng-Fei
    Hu, Xi-Lan
    ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE, 2007, 63 : O468 - O469
  • [9] Ethyl 6-methyl-4-phenyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
    Qin, Yong-Qi
    Ren, Xiao-Yan
    Liang, Tong-Ling
    Jian, Fang-Fang
    ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, 2006, 62 : O5215 - O5216
  • [10] Ethyl 4-(furan-2-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
    Wang, Hong-Yun
    ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE, 2010, 66 : O2822 - U231