Crystal Research and Technology
Cryst. Res. Technol. 36 (2001) 1451 - Abstract -

Rajnikant, V. K. Gupta, M. B. Deshmukh*, B. Varghese**, Dinesh

Post-Graduate Department of Physics, University of Jammu, Jammu Tawi, India
*Department of Chemistry, Shivaji University, Maharashtra, India
**Regional Sophisticated Instrumentation Centre, Indian Institute of Technology, Chennai, India

Structure Analysis of Methyl-3,4-dihydro-3-(p-methylphenyl)-4-oxo-2-quinazolinyl thiopropionate

The crystal structure of methyl-3, 4-dihydro-3-(p-methylphenyl)-4-oxo-2-quinazolinyl thiopropionate (C19H18N2O3S) has been determined by X-ray diffraction methods. The compound crystallizes in the triclinic space group P-1 with unit cell parameters: a = 9.094(2), b = 9.428(3), c = 10.612(3) Å, α = 94.55(3), β = 95.44(2), γ = 106.75(3)° and Z = 2. The structure has been refined to an R-value of 0.054 for 2533 observed reflections. The quinazoline moiety and the methyl substituted phenyl ring is almost planar. The dihedral angle between these two moieties is 84.96(8)°. The crystal structure is stabilized by an intermolecular C-H…O interaction.

Keywords: crystal structure


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