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2-{[(2-Methyl-prop-2-en-1-yl)-oxy]meth-yl}-6-phenyl-2,3,4,5-tetra-hydro-1,2,4-triazine-3,5-dione.

ABSTRACT: The 1,2,4-triazine ring in the title compound, C(14)H(15)N(3)O(3), is approximately planar (r.m.s. deviation = 0.019?Å); the C atom at the 6-position deviates by 0.026?(2)?Å from the mean plane whereas the C atom at the 2-position deviates by 0.166?(4)?Å in the opposite direction. The triazine ring is oriented at 8.60?(13)° with respect to the phenyl ring. The imino group is hydrogen-bond donor to the exocyclic O atom at the 3-position of an adjacent mol-ecule, the hydrogen bond generating an inversion dimer.

SUBMITTER: El-Brollosy NR

PROVIDER: S-EPMC3275031 | biostudies-literature | 2012 Feb

REPOSITORIES: biostudies-literature

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2-{[(2-Methyl-prop-2-en-1-yl)-oxy]meth-yl}-6-phenyl-2,3,4,5-tetra-hydro-1,2,4-triazine-3,5-dione.

El-Brollosy Nasser R NR El-Emam Ali A AA Al-Turkistani Abdulghafoor A AA Ng Seik Weng SW

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

The 1,2,4-triazine ring in the title compound, C(14)H(15)N(3)O(3), is approximately planar (r.m.s. deviation = 0.019 Å); the C atom at the 6-position deviates by 0.026 (2) Å from the mean plane whereas the C atom at the 2-position deviates by 0.166 (4) Å in the opposite direction. The triazine ring is oriented at 8.60 (13)° with respect to the phenyl ring. The imino group is hydrogen-bond donor to the exocyclic O atom at the 3-position of an adjacent mol-ecule, the hydrogen bond generating an in ...[more]

PMID: 22346976

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