The crystal structure and the structural features of the 8a-phenylhexahydropyrrolo[1,2-a]pyrimidine-6(2H)-one, C13H16N2O, obtained by condensation of 4-phenyl-4-oxobutanoic acid with 1,3-diaminopropane. Molecules are weakly linked by the intermolecular hydrogen bonds C=O···H–N into the chains. These chains are weakly linked by π-π stacking interactions to form a three-dimensional framework.
A new Z = 8, Z′ = 2 polymorph of 4-oxo-4-phenylbutanoic (β-benzoylpropionic) acid, C10H10O3, was obtained. The previously published two polymorphs with CCDC codes VERMAG and VERMAG01 crystallize with Z = 4, Z′ = 1 in monoclinic space groups P21/c [a = 15.071(10), b = 5.435(9), c = 16.058(10), β = 129.57(10)°] and P21/n [a = 12.728(6), b = 5.200(3), c = 14.426(6), β = 111.33(3)°], respectively. Reported herein, polymorph crystallizes in monoclinic space group P21/c and has significant larger cell volume of 1754.51 Å3 [a = 15.2673(6), b = 5.2028(2), c = 22.3063(8), β = 98.0217(7)°]. Structurally, new polymorph differs from two known other slightly (RMSD of about 0.112–0.183 Å). All polymorphs contain dimers of molecules bounded by intermolecular hydrogen bonds leaving carbonyl groups at Position 4 unaffected.
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