Ethyl 4-(2-bromo-5-fluorophenyl)-6-methyl-1-phenyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

被引:1
作者
Fun, Hoong-Kun [1 ]
Jebas, Samuel Robinson [1 ,2 ]
Babu, M. [3 ]
Patil, P. S. [4 ]
Kalluraya, B. [3 ]
Dharmaprakash, S. M. [4 ]
机构
[1] Univ Sains Malaysia, Sch Phys, Xray Crystallog Unit, George Town 11800, Malaysia
[2] Karunya Univ, Dept Phys, Coimbatore 641114, Tamil Nadu, India
[3] Mangalore Univ, Dept Studies Chem, Mangalagangothri 574199, Mangalore, India
[4] Mangalore Univ, Dept Studies Phys, Mangalagangothri 574199, Mangalore, India
来源
ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE | 2008年 / 64卷
关键词
D O I
10.1107/S1600536808021685
中图分类号
O7 [晶体学];
学科分类号
0702 ; 070205 ; 0703 ; 080501 ;
摘要
In the title molecule, C20H18BrFN2O2S, the pyrimidine ring adopts a flattened envelope conformation. The halogenated benzene ring is orthogonal to the planar part of the pyrimidine ring [dihedral angle = 89.05 (4)degrees], while the other phenyl ring is oriented at an angle of 85.14 (5)degrees. The ethoxy group is disordered over two orientations with site occpancies of ca 0.869 (4) and 0.131 (4). Intramolecular C-H center dot center dot center dot Br and C-H center dot center dot center dot O hydrogen bonds generate S(5) and S(6) ring motifs. The crystal structure is stabilized by intermolecular N-H center dot center dot center dot S, C-H center dot center dot center dot F, C-H center dot center dot center dot O and C-H center dot center dot center dot Br hydrogen bonds.
引用
收藏
页码:O1526 / U2616
页数:12
相关论文
共 13 条
  • [1] TABLES OF BOND LENGTHS DETERMINED BY X-RAY AND NEUTRON-DIFFRACTION .1. BOND LENGTHS IN ORGANIC-COMPOUNDS
    ALLEN, FH
    KENNARD, O
    WATSON, DG
    BRAMMER, L
    ORPEN, AG
    TAYLOR, R
    [J]. JOURNAL OF THE CHEMICAL SOCIETY-PERKIN TRANSACTIONS 2, 1987, (12): : S1 - S19
  • [2] DIHYDROPYRIMIDINE CALCIUM-CHANNEL BLOCKERS - 2-HETEROSUBSTITUTED 4-ARYL-1,4-DIHYDRO-6-METHYL-5-PYRIMIDINECARBOXYLIC ACID-ESTERS AS POTENT MIMICS OF DIHYDROPYRIDINES
    ATWAL, KS
    ROVNYAK, GC
    SCHWARTZ, J
    MORELAND, S
    HEDBERG, A
    GOUGOUTAS, JZ
    MALLEY, MF
    FLOYD, DM
    [J]. JOURNAL OF MEDICINAL CHEMISTRY, 1990, 33 (05) : 1510 - 1515
  • [3] PATTERNS IN HYDROGEN BONDING - FUNCTIONALITY AND GRAPH SET ANALYSIS IN CRYSTALS
    BERNSTEIN, J
    DAVIS, RE
    SHIMONI, L
    CHANG, NL
    [J]. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 1995, 34 (15) : 1555 - 1573
  • [4] Bruker, 2005, APEX2 SAINT SADABS
  • [5] GENERAL DEFINITION OF RING PUCKERING COORDINATES
    CREMER, D
    POPLE, JA
    [J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1975, 97 (06) : 1354 - 1358
  • [6] KAPPE CO, 1993, TETRAHEDRON, V49, P6937
  • [7] An inexpensive protocol for Biginelli reaction
    Manjula, A
    Rao, BV
    Neelakantan, P
    [J]. SYNTHETIC COMMUNICATIONS, 2004, 34 (14) : 2665 - 2671
  • [8] Matsuda T., 1965, NIPPON KAGAKU ZASSH, V86, P1195
  • [9] SYNTHESIS AND BIOLOGICAL EVALUATION OF NEW 3,4-DIHYDRO-6-METHYL-5-N-METHYL-CARBAMOYL-4-(SUBSTITUTED PHENYL)-2(1H)PYRIMIDINONES AND PYRIMIDINETHIONES
    SADANANDAM, YS
    SHETTY, MM
    DIWAN, PV
    [J]. EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY, 1992, 27 (01) : 87 - 92
  • [10] A short history of SHELX
    Sheldrick, George M.
    [J]. ACTA CRYSTALLOGRAPHICA A-FOUNDATION AND ADVANCES, 2008, 64 : 112 - 122