TY - JOUR
T1 - Absolute configuration of (1S,2S)-3-methyl-2-phenyl-2,3-dihydrothiazolo[2, 3-b]quinazolin-5-one
AU - Ghorab, Mostafa M.
AU - Al-Said, Mansour S.
AU - Abdel-Kader, Maged S.
AU - Hemamalini, Madhukar
AU - Fun, Hoong Kun
PY - 2012/4
Y1 - 2012/4
N2 - The absolute structure of the molecule in the crystal of the title compound, C 17H 14N 2OS, was determined by the refinement of the Flack parameter to 0.0 (2) based on 1011 Friedel pairs. The quinazoline ring is essentially planar, with a maximum deviation of 0.037 (2) Å. The thia-zole ring is distorted from planarity [maximum deviation = 0.168 (2) Å] and adopts a slightly twisted envelope conformation, with the C atom as the flap atom. The central thia-zole ring makes dihedral angles of 7.01 (8) and 76.80 (10)° with the quinazoline and phenyl rings, respectively. The corresponding angle between the quinazoline and phenyl rings is 3.74 (9)°. In the crystal, there are no classical hydrogen bonds but stabilization is provided by weak C-H⋯π inter-actions, involving the centroids of the phenyl rings.
AB - The absolute structure of the molecule in the crystal of the title compound, C 17H 14N 2OS, was determined by the refinement of the Flack parameter to 0.0 (2) based on 1011 Friedel pairs. The quinazoline ring is essentially planar, with a maximum deviation of 0.037 (2) Å. The thia-zole ring is distorted from planarity [maximum deviation = 0.168 (2) Å] and adopts a slightly twisted envelope conformation, with the C atom as the flap atom. The central thia-zole ring makes dihedral angles of 7.01 (8) and 76.80 (10)° with the quinazoline and phenyl rings, respectively. The corresponding angle between the quinazoline and phenyl rings is 3.74 (9)°. In the crystal, there are no classical hydrogen bonds but stabilization is provided by weak C-H⋯π inter-actions, involving the centroids of the phenyl rings.
UR - http://www.scopus.com/inward/record.url?scp=84860314194&partnerID=8YFLogxK
U2 - 10.1107/S160053681200832X
DO - 10.1107/S160053681200832X
M3 - Article
AN - SCOPUS:84860314194
SN - 1600-5368
VL - 68
SP - o927-o928
JO - Acta Crystallographica Section E: Structure Reports Online
JF - Acta Crystallographica Section E: Structure Reports Online
IS - 4
ER -