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Structures of 1,2,3,4-tetrahydro-6H-pyrimido[2,1-b]-quinazolin-6-one and its hydrochloride
Authors:Marek L Glówka  Andrzej Olczak  Lucyna Korzycka
Institution:(1) Institute of General and Ecological Chemistry, Technical University of Lódzacute, 90-924 Lódzacute, Poland;(2) Department of Pharmaceutical Chemistry and Drug Analysis, Medical Academy, 90-145 Lódzacute, Poland
Abstract:C11H11N3O, m.p. 243°C, P2/n,Z=4,a=5.843(2),b=14.241(3),c=11.102(1) Å, beta=93.30(2)°,R=0.046; C11H11N3O·HCl·H2O, Pca21,Z=8,a=18.640(2),b=8.894(2),c=14.404(2)Å,R=0.062. The molecules of the free base are in 1H-tautomeric form. N(1)-H...N(11) hydrogen bonds join molecules of the free base into dimers, which enable tautomeric rearrangement (not observed in this study) also in the solid state without any changes in molecular packing. The quinazoline system deviates slightly from planarity and benzene pgr electrons are partially localized at C(7)–C(8) and C(9)–C(10) bonds as seen from their lengths of about 1.375 Å, while other bonds in the benzene ring are at least 0.02 Å longer.
Keywords:Pyrimido [2  1-b]quinazoline  hydrochloride  neuroleptic
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