Acta Crystallographica Section C

Crystal Structure Communications

Volume 64, Part 2 (February 2008)


organic compounds



Acta Cryst. (2008). C64, o80-o83    [ doi:10.1107/S0108270107068850 ]

Two quinazolinones: a ring conformational study

G. Y. S. K. Swamy, B. Sridhar, K. Ravikumar and Y. S. Sadanandam

Abstract: The molecules of (±)-2-(4-methoxyphenyl)-1-phenethyl-2,3-dihydroquinazolin-4(1H)-one, C23H22N2O2, (I), and (±)-2-(1,3-benzodioxol-5-yl)-1-phenethyl-2,3-dihydroquinazolin-4(1H)-one, C23H20N2O3, (II), have T-shaped forms in the crystal structure. The tetrahydropyrimidine ring in both structures adopts a sofa conformation. Both molecules are linked by N-H...O and C-H...O hydrogen bonds to form sheets built from alternating R22(8) and R44(26) [R44(24) in (II)] edge-fused rings. Additionally, the structures are stabilized by extensive C-H...[pi] interactions.

Formula: C23H22N2O2 and C23H20N2O3


hkldisplay filedownload file

Structure factor file (CIF format) (157.6 kbytes)
[ doi:10.1107/S0108270107068850/dn3077Isup2.hkl ]
Contains datablock I


hkldisplay filedownload file

Structure factor file (CIF format) (162.7 kbytes)
[ doi:10.1107/S0108270107068850/dn3077IIsup3.hkl ]
Contains datablock II


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