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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.

El-Brollosy NR, Attia MI, El-Emam AA, Ng SW, Tiekink ER - Acta Crystallogr Sect E Struct Rep Online (2012)

Bottom Line: In the title compound, C(19)H(17)ClN(2)O(3), the conformation about the ethyl-ene bond [1.333 (2) Å] is E.The ten atoms comprising the quinazoline ring are essentially planar (r.m.s. deviation = 0.032 Å) and their mean plane forms a dihedral angle of 13.89 (7)° with the terminal phenyl ring; the mol-ecule has an open conformation as these substituents are directed away from each other.These are consolidated into a three-dimensional architecture by C-H⋯O, C-H⋯π and π-π inter-actions [ring centroid(N(2)C(4))⋯centroid(C(6)) distance = 3.5820 (11) Å].

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ABSTRACT
In the title compound, C(19)H(17)ClN(2)O(3), the conformation about the ethyl-ene bond [1.333 (2) Å] is E. The ten atoms comprising the quinazoline ring are essentially planar (r.m.s. deviation = 0.032 Å) and their mean plane forms a dihedral angle of 13.89 (7)° with the terminal phenyl ring; the mol-ecule has an open conformation as these substituents are directed away from each other. In the crystal, centrosymmetrically related mol-ecules are connected via N-H⋯O hydrogen bonds between the amide groups, leading to eight-membered {⋯HNCO}(2) synthons. These are consolidated into a three-dimensional architecture by C-H⋯O, C-H⋯π and π-π inter-actions [ring centroid(N(2)C(4))⋯centroid(C(6)) distance = 3.5820 (11) Å].

No MeSH data available.


Related in: MedlinePlus

The molecular structure of (I) showing the atom-labelling scheme and displacement ellipsoids at the 50% probability level.
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Fap1: The molecular structure of (I) showing the atom-labelling scheme and displacement ellipsoids at the 50% probability level.


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.

El-Brollosy NR, Attia MI, El-Emam AA, Ng SW, Tiekink ER - Acta Crystallogr Sect E Struct Rep Online (2012)

The molecular structure of (I) showing the atom-labelling scheme and displacement ellipsoids at the 50% probability level.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC3379352&req=5

Fap1: The molecular structure of (I) showing the atom-labelling scheme and displacement ellipsoids at the 50% probability level.
Bottom Line: In the title compound, C(19)H(17)ClN(2)O(3), the conformation about the ethyl-ene bond [1.333 (2) Å] is E.The ten atoms comprising the quinazoline ring are essentially planar (r.m.s. deviation = 0.032 Å) and their mean plane forms a dihedral angle of 13.89 (7)° with the terminal phenyl ring; the mol-ecule has an open conformation as these substituents are directed away from each other.These are consolidated into a three-dimensional architecture by C-H⋯O, C-H⋯π and π-π inter-actions [ring centroid(N(2)C(4))⋯centroid(C(6)) distance = 3.5820 (11) Å].

View Article: PubMed Central - HTML - PubMed

ABSTRACT
In the title compound, C(19)H(17)ClN(2)O(3), the conformation about the ethyl-ene bond [1.333 (2) Å] is E. The ten atoms comprising the quinazoline ring are essentially planar (r.m.s. deviation = 0.032 Å) and their mean plane forms a dihedral angle of 13.89 (7)° with the terminal phenyl ring; the mol-ecule has an open conformation as these substituents are directed away from each other. In the crystal, centrosymmetrically related mol-ecules are connected via N-H⋯O hydrogen bonds between the amide groups, leading to eight-membered {⋯HNCO}(2) synthons. These are consolidated into a three-dimensional architecture by C-H⋯O, C-H⋯π and π-π inter-actions [ring centroid(N(2)C(4))⋯centroid(C(6)) distance = 3.5820 (11) Å].

No MeSH data available.


Related in: MedlinePlus