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6-(3,5-Dimethyl-benz-yl)-5-ethyl-1-[(3-phenyl-prop-oxy)meth-yl]-1,2,3,4-tetra-hydro-pyrimidine-2,4-dione.

ABSTRACT: The pyrimidine ring of the title compound, C(25)H(30)N(2)O(3), is approximately planar (r.m.s. deviation = 0.003?Å); the C atom at the 5-position deviates by 0.012?(3)?Å from the mean plane and the C atom at the 6-position by 0.038?(3)?Å. In the mol-ecule, the pyrimidine ring is oriented at 86.72?(9) and 59.75?(9)° with respect to the two benzene rings, and the two benzene rings are inclined to each other at 58.35?(9)°. In the crystal, the amino group is hydrogen-bond donor to the exocyclic O atom at the 4-position of an adjacent mol-ecule, the hydrogen bond generating an inversion dimer.

SUBMITTER: El-Brollosy NR

PROVIDER: S-EPMC3275006 | biostudies-literature | 2012 Feb

REPOSITORIES: biostudies-literature

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6-(3,5-Dimethyl-benz-yl)-5-ethyl-1-[(3-phenyl-prop-oxy)meth-yl]-1,2,3,4-tetra-hydro-pyrimidine-2,4-dione.

El-Brollosy Nasser R NR El-Emam Ali A AA Al-Deeb Omar A OA Ng Seik Weng SW

Acta crystallographica. Section E, Structure reports online 20120111 Pt 2

The pyrimidine ring of the title compound, C(25)H(30)N(2)O(3), is approximately planar (r.m.s. deviation = 0.003 Å); the C atom at the 5-position deviates by 0.012 (3) Å from the mean plane and the C atom at the 6-position by 0.038 (3) Å. In the mol-ecule, the pyrimidine ring is oriented at 86.72 (9) and 59.75 (9)° with respect to the two benzene rings, and the two benzene rings are inclined to each other at 58.35 (9)°. In the crystal, the amino group is hydrogen-bond donor to the exocyclic O at ...[more]

PMID: 22346951

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