4-(4-Chlorophenyl)-6-hydroxy-5-(2-thienylcarbonyl)-6-(trifluoromethyl)-3,4,5,6-tetrahydropyrimidin-2(1H)-one monohydrate

被引:3
|
作者
Mosslemin, Mohammad Hossein [1 ]
Nateghi, Mohammad Reza [1 ]
Sadoughi, Hesamaddin [1 ]
Lamei, Asal [1 ]
机构
[1] Islamic Azad Univ, Dept Chem, Yazd Branch, Yazd, Iran
关键词
D O I
10.1107/S1600536809017097
中图分类号
O7 [晶体学];
学科分类号
0702 ; 070205 ; 0703 ; 080501 ;
摘要
The asymmetric unit of the title compound, C(16)H(12)ClF(3)N(2)O(3)S center dot H(2)O, contains two crystallographically independent organic molecules and two water molecules. The organic species are linked by an intermolecular O-H center dot center dot center dot O hydrogen bond, while the water molecules are connected to them through intermolecular O-H center dot center dot center dot N hydrogen bonds. The thiophene and phenyl rings are oriented at dihedral angles of 62.35 (4) in the first independent molecule and 60.74 (5)degrees in the second, while the pyrimidine rings adopt twisted conformations in both molecules. Intramolecular N-H center dot center dot center dot F interactions result in the formation of two five-membered rings having envelope conformations. In the crystal structure, further intermolecular O-H center dot center dot center dot O and N-H center dot center dot center dot O hydrogen bonds link the molecules into chains.
引用
收藏
页码:O1339 / U2392
页数:14
相关论文
共 50 条
  • [31] Ethyl 4-(4-chlorophenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
    Nayak, Susanta K.
    Venugopala, K. N.
    Chopra, Deepak
    Govender, Thavendran
    Kruger, Hendrik G.
    Maguire, Glenn E. M.
    Row, T. N. Guru
    ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE, 2009, 65 : O2518 - +
  • [32] 6-(4-Chlorophenyl)-2-(4-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine
    Zheng, Liang-Wen
    Zhao, Bao-Xiang
    ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE, 2011, 67 : O1949 - U2207
  • [33] 4-(4-chlorophenyl)-5-[1-(4-chlorophenyl)-2-methyl-2-nitropropyl]-1,2,3-selenadiazole
    Marx, A.
    Saravanan, S.
    Muthusubramanian, S.
    Manivannan, V.
    Rath, Nigam P.
    ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE, 2008, 64 : O349 - U1521
  • [34] 3-(4-Chlorophenyl)-6-(4-methoxybenzyl)-1,2,4,5-tetrazine
    Xu, Feng
    Hu, Wei-Xiao
    ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, 2007, 63 : O2397 - U741
  • [35] 2-(4-Chlorophenyl)-3-{[(1E)-(4-chlorophenyl) methylene]amino}-2,3-dihydroquinazolin-4(1H)-one
    Butcher, Ray J.
    Jasinski, Jerry P.
    Narayana, B.
    Sunil, K.
    Yathirajan, H. S.
    ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE, 2007, 63 : O4025 - U2822
  • [36] Aqua[4′-(4-chlorophenyl)-2,2′:6′,2"-terpyridine]nitratocopper(II) nitrate [4′-(4-chlorophenyl)-2,2′:6′,2"-terpyridine]dinitratocopper(II) monohydrate
    Zhao, Juan
    Shi, Shuo
    Yao, Tianming
    Tan, Zhongfei
    ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE, 2011, 67 : M346 - U626
  • [37] Structure of Methyl (1S, 6S) 6-(4-chlorophenyl)-4-(4-methylphenyl) cyclohex-3-en-2-one-1-carboxylate
    Jalbout, Abraham F.
    Contreras-Torres, Flavio F.
    Lobo, Gabriela M.
    Charris, Jaimi E.
    MOLBANK, 2007, (05)
  • [38] Synthesis and crystal structure of 4-(4-chlorophenyl)-6-methyl-5-methoxy-caronyl-3,4-dihydropyrimidin-2(H)-one
    Hua, GP
    Tu, SJ
    Fang, F
    Tu, MS
    Shi, DQ
    Wang, XS
    CHINESE JOURNAL OF STRUCTURAL CHEMISTRY, 2004, 23 (11) : 1295 - 1299
  • [39] Synthesis and Crystal Structure of 4-(4-Chlorophenyl)-6-methyl-5-methoxy-caronyl-3,4-dihydropyrimidin-2(H)-one
    HUA Guo-Pinga TU Shu-Jiang b② FANG Fanga TU Man-Sua SHI Da-Qingb WANG Xiang-Shanb a (Xuzhou Institute of Architectural Technology
    Key Laboratory of Biotechnology on Medical Plant of Jiangsu Province
    结构化学, 2004, (11) : 1295 - 1299
  • [40] 2-(4-Chlorophenyl)-6-methoxychroman-4-one
    Jasinski, Jerry P.
    Pek, Albert E.
    Narayana, B.
    Yathirajan, H. S.
    Nayak, Prakash S.
    ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE, 2010, 66 : O2546 - U356