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6-(2-Methyl-prop-yl)-4-oxo-2-sulfanyl-idene-1,2,3,4-tetra-hydro-pyrimidine-5-carbonitrile.

ABSTRACT: The title thio-uracil derivative, C(9)H(11)N(3)OS, exists in the thione form. The six atoms comprising the ring are almost coplanar [r.m.s. deviation = 0.015?Å] and the 2-methyl-propyl group lies approximately perpendicular to this plane [the N-C-C-C torsion angle is 72.88?(14)°]. Linear supra-molecular chains along [001] sustained by N-H?O and N-H?S hydrogen bonding feature in the crystal packing.

SUBMITTER: Al-Deeb OA

PROVIDER: S-EPMC3295462 | biostudies-literature | 2012 Mar

REPOSITORIES: biostudies-literature

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6-(2-Methyl-prop-yl)-4-oxo-2-sulfanyl-idene-1,2,3,4-tetra-hydro-pyrimidine-5-carbonitrile.

Al-Deeb Omar A OA El-Emam Ali A AA Al-Turkistani Abdulghafoor A AA Ng Seik Weng SW Tiekink Edward R T ER

Acta crystallographica. Section E, Structure reports online 20120210 Pt 3

The title thio-uracil derivative, C(9)H(11)N(3)OS, exists in the thione form. The six atoms comprising the ring are almost coplanar [r.m.s. deviation = 0.015 Å] and the 2-methyl-propyl group lies approximately perpendicular to this plane [the N-C-C-C torsion angle is 72.88 (14)°]. Linear supra-molecular chains along [001] sustained by N-H⋯O and N-H⋯S hydrogen bonding feature in the crystal packing. ...[more]

PMID: 22412573

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