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1-Acetyl-4-(phenyl-sulfan-yl)imidazolidin-2-one.

ABSTRACT: The five-membered ring in the title imidazolidinone derivative, C(11)H(12)N(2)O(2)S, adopts an envelope conformation with the S-bound C atom being the flap atom. Overall, the mol-ecule has a U-shaped conformation as both rings are folded towards each other [dihedral angle = 31.66 (6)°]. An eight-membered amide {⋯HNCO}(2) synthon leads to hydrogen-bonded dimeric aggregates in the crystal: these are additionally linked by C-H⋯π inter-actions.

SUBMITTER: Abdel-Aziz AA

PROVIDER: S-EPMC3297951 | biostudies-literature |

REPOSITORIES: biostudies-literature

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1-Acetyl-5-meth-oxy-4-(phenyl-sulfan-yl)imidazolidin-2-one.

Project description:The title compound, C12H14N2O3S, crystallizes with two independent mol-ecules (A and B) in the asymmetric unit. The five-membered imidazolidin-2-one rings in both mol-ecules are twisted about the C-C bond. In the crystal, the A and B mol-ecules are associated via pairs of N-H⋯O hydrogen bonds, forming A-B dimers. These dimers are linked via C-H⋯S hydrogen bonds, forming double dimers, which are in turn linked via C-H⋯O hydrogen bonds forming two-dimensional networks lying parallel to (001). There are also C-H⋯π inter-actions present, which consolide the layers and link them, so forming a three-dimensional structure.

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Project description:In the title compound, C(28)H(27)ClN(2)O(3)S, the central imidazolidine ring adopts an envelope conformation with the C atom bearing the chloro-phenyl ring at the flap. The geometry around the S atom is distorted tetra-hedral. Three methyl-ene groups of the cyclo-hexene ring are disordered over two sets of sites [site occupancies = 0.562?(10) and 0.438?(10)]. The crystal packing is stabilized by C-H?? inter-actions.

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