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6-Methyl-1-({[(2E)-2-methyl-3-phenyl-prop-2-en-1-yl]-oxy}meth-yl)-1,2,3,4-tetra-hydro-quinazoline-2,4-dione.

ABSTRACT: In the title compound, C(20)H(20)N(2)O(3), the ten atoms comprising the quinazoline ring are essentially planar (r.m.s. deviation = 0.024?Å), and this plane is almost orthogonal to the terminal phenyl ring [dihedral angle = 82.87?(7)°]. The conformation about the ethyl-ene bond [1.335?(2)?Å] is E and there is a significant twist between this residue and the adjacent phenyl ring [C-C-C- torsion angle = -48.4?(3)°]. The crystal structure features centrosymmetric dimeric units linked by pairs of N-H?O hydrogen bonds between the amide groups which lead to eight-membered {?HNCO}(2) synthons. These are consolidated into a three-dimensional architecture by C-H?O, C-H?? and ?-? inter-actions [centroid-centroid distances = 3.5087?(8) and 3.5645?(9)?Å].

SUBMITTER: El-Brollosy NR

PROVIDER: S-EPMC3379351 | biostudies-literature | 2012 Jun

REPOSITORIES: biostudies-literature

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6-Methyl-1-({[(2E)-2-methyl-3-phenyl-prop-2-en-1-yl]-oxy}meth-yl)-1,2,3,4-tetra-hydro-quinazoline-2,4-dione.

El-Brollosy Nasser R NR Attia Mohamed I MI El-Emam Ali A AA Ng Seik Weng SW Tiekink Edward R T ER

Acta crystallographica. Section E, Structure reports online 20120519 Pt 6

In the title compound, C(20)H(20)N(2)O(3), the ten atoms comprising the quinazoline ring are essentially planar (r.m.s. deviation = 0.024 Å), and this plane is almost orthogonal to the terminal phenyl ring [dihedral angle = 82.87 (7)°]. The conformation about the ethyl-ene bond [1.335 (2) Å] is E and there is a significant twist between this residue and the adjacent phenyl ring [C-C-C- torsion angle = -48.4 (3)°]. The crystal structure features centrosymmetric dimeric units linked by pairs of N- ...[more]

PMID: 22719549

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6-Chloro-1-({[(2E)-2-methyl-3-phenyl-prop-2-en-1-yl]-oxy}meth-yl)-1,2,3,4-tetra-hydro-quinazoline-2,4-dione.

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