TY - JOUR
T1 - Crystal structure of ethyl 6-(2-fluoro-phenyl)-4-hydroxy-2-sulfanylidene-4-trifluoromethyl-1,3-diazinane-5-carboxylate
AU - Krishnamurthy, M. S.
AU - Begum, Noor Shahina
AU - Harrison, William Thomas Alexander
PY - 2015/5/1
Y1 - 2015/5/1
N2 - In the title compound, C14H14F4N2O3S, the central dihydro-pyrimidine ring adopts a sofa conformation with the C atom bearing the 2-fluorobenzene ring displaced by 0.596 (3) Å from the other five atoms. The 2-fluorobenzene ring is positioned axially and bisects the pyrimidine ring with a dihedral angle of 70.92 (8)°. The molecular conformation is stabilized by an intramolecular O - H⋯O hydrogen bond, generating an S(6) ring. The crystal structure features C - H⋯ F, N - H⋯S and N - H⋯O hydrogen bonds, which link the molecules into a three-dimensional network.
AB - In the title compound, C14H14F4N2O3S, the central dihydro-pyrimidine ring adopts a sofa conformation with the C atom bearing the 2-fluorobenzene ring displaced by 0.596 (3) Å from the other five atoms. The 2-fluorobenzene ring is positioned axially and bisects the pyrimidine ring with a dihedral angle of 70.92 (8)°. The molecular conformation is stabilized by an intramolecular O - H⋯O hydrogen bond, generating an S(6) ring. The crystal structure features C - H⋯ F, N - H⋯S and N - H⋯O hydrogen bonds, which link the molecules into a three-dimensional network.
KW - Crystal structure
KW - Dihydropyrimidine derivative
KW - Hydrogen bonding
KW - Organofluorine compounds
UR - http://www.scopus.com/inward/record.url?scp=84928104520&partnerID=8YFLogxK
U2 - 10.1107/S2056989015005836
DO - 10.1107/S2056989015005836
M3 - Article
AN - SCOPUS:84928104520
VL - 71
SP - o268-o269
JO - Acta Crystallographica Section E: Structure Reports Online
JF - Acta Crystallographica Section E: Structure Reports Online
SN - 1600-5368
IS - 5
ER -