Abstract
In the title compound, C20H21N3O2·H2O (EQR·H2O), the quinazoline ring system forms dihedral angles of 53.1 (1) and 85.6 (1)° with the phenyl ring and the amide link, respectively. In the crystal, O—H⋯O hydrogen bonds link two EQR and two water molecules into a centrosymmetric R 4 4(18) ring motif. N—H⋯O hydrogen bonds further link these hydrogen-bonded fragments into columns extending in [010].
Highlights
In the crystal, O—H O hydrogen bonds link two EQR and two water molecules into a centrosymmetric R44(18) ring motif
In a continuation of our research focused on new synthetic routes towards novel substituted 3H-quinazolin-4-one derivatives (Smith et al, 1995, 1996a,b, 2004) we have synthesized 2-ethyl-3-((R)-2-phenylbutanoylamino)-3Hquinazolin-4-one (EQR) in a high yield
The title compound (I) appears from its NMR spectra as a mixture of two diastereoisomers in unequal proportions (Ia:Ib = ca. 4:6), due to restricted rotation around the N–N axis (Smith et al, 2004), but the X-ray crystallography showed a single type of crystal containing just one diastereoisomer but with both enantiomers in equal proportions (the structure displayed shows the structure as 2-ethyl-3-((R)-2-phenylbutanoylamino)-3H-quinazolin-4-one hydrate)
Summary
N—H O hydrogen bonds further link these hydrogenbonded fragments into columns extending in [010]
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