Structures of 1,2,3,4-tetrahydro-6H-pyrimido[2,1-b]-quinazolin-6-one and its hydrochloride |
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Authors: | Marek L Glówka Andrzej Olczak Lucyna Korzycka |
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Institution: | (1) Institute of General and Ecological Chemistry, Technical University of Lód , 90-924 Lód , Poland;(2) Department of Pharmaceutical Chemistry and Drug Analysis, Medical Academy, 90-145 Lód , Poland |
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Abstract: | C11H11N3O, m.p. 243°C, P2/n,Z=4,a=5.843(2),b=14.241(3),c=11.102(1) Å, =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 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. |
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Keywords: | Pyrimido [2 1-b]quinazoline hydrochloride neuroleptic |
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