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(9E)-9-benzylidene-3-methyl-2-methylsulfanyl-5-phenyl-5,6,7,8,9,10-hexahydropyrimido[4,5-b]quinolin-4(3H)-one: Polarized Molecules Within Hydrogen-Bonded Bilayers

(9E)-9-benzylidene-3-methyl-2-methylsulfanyl-5-phenyl-5,6,7,8,9,10-hexahydropyrimido[4,5-b]quinolin-4(3H)-one: Polarized Molecules Within Hydrogen-Bonded Bilayers

Diana Becerra, Braulio Insuasty, Justo Cobo, Christopher Glidewell

Acta Crystallogr C. 2010 Aug;66(Pt 8):o389-91.

PMID: 20679713

Abstract:

The molecules of the title compound, C(26)H(25)N(3)OS, which was prepared by means of an acid-catalysed cyclocondensation reaction between a 6-aminopyrimidinone and 2,6-dibenzylidenecyclohexanone, exhibit a polarized electronic structure, namely (9E)-9-benzylidene-3-methyl-2-methylsulfanyl-5-phenyl-3,5,6,7,8,9-hexahydropyrimido[4,5-b]quinolin-10-ium-4-olate, involving charge separation in the vinylogous amide portion. Four hydrogen bonds, two each of the C-H...O and C-H...pi(arene) types, link the molecules into bilayers comprising inversion-related pairs of sheets, each containing a single type of R(4)(3)(36) ring.

Chemicals Related in the Paper:

Catalog Number	Product Name	Structure	CAS Number	Price
AP80220639	3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-Heptadecafluorodecylphosphonic acid		80220-63-9	Price

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