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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 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(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)°].These are consolidated into a three-dimensional architecture by C-H⋯O, C-H⋯π and π-π inter-actions [centroid-centroid distances = 3.5087 (8) and 3.5645 (9) Å].

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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⋯π and π-π inter-actions [centroid-centroid distances = 3.5087 (8) and 3.5645 (9) 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-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 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=PMC3379351&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(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)°].These are consolidated into a three-dimensional architecture by C-H⋯O, C-H⋯π and π-π inter-actions [centroid-centroid distances = 3.5087 (8) and 3.5645 (9) Å].

View Article: PubMed Central - HTML - PubMed

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⋯π and π-π inter-actions [centroid-centroid distances = 3.5087 (8) and 3.5645 (9) Å].

No MeSH data available.


Related in: MedlinePlus