AI Article Synopsis
- - The compound described is methanol hemisolvated quinazolin-(3H)-one, which has specific substitutions at the 2-position (anilino) and the 3-position (amino-ethyl) on its planar structure.
- - There is an intramolecular hydrogen bond between the nitrogen atoms of the anilino and amino-ethyl groups, indicating strong internal interactions within the molecule.
- - The molecule interacts with a methanol solvent molecule through multiple hydrogen bonds, and the methanol itself is found in two equally probable orientations due to symmetry.
Article Abstract
The title methanol hemisolvated quinazolin-(3H)-one, C(16)H(16)N(4)O·0.5CH(3)OH, has an anilino substituent in the 2-position and an amino-ethyl substituent in the 3-position of the planar fused-ring system (r.m.s. deviation = 0.019 Å). The anilino N atom donates an intramolecular hydrogen bond to the amino-ethyl N atom. The mol-ecule and the solvent methanol mol-ecule are linked by N-H⋯N, N-H⋯O and O-H⋯O hydrogen bonds. The methanol mol-ecule is disordered over two equally occupied positions about a twofold rotation axis.
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| http://www.ncbi.nlm.nih.gov/pmc/articles/PMC2971964 | PMC |
| http://dx.doi.org/10.1107/S1600536809045516 | DOI Listing |
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