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

来源：

ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS | 2015年 / 71卷

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

页码：O81 / U324

页数：11

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