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

ABSTRACT: 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?? inter-actions present, which consolide the layers and link them, so forming a three-dimensional structure.

SUBMITTER: Mague JT

PROVIDER: S-EPMC3998308 | biostudies-literature | 2014 Feb

REPOSITORIES: biostudies-literature

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

Mague Joel T JT Abdel-Aziz Alaa A-M AA El-Azab Adel S AS Alanazi Amer M AM

Acta crystallographica. Section E, Structure reports online 20140115 Pt 2

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). Ther ...[more]

PMID: 24764869

Similar Datasets

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

Project description: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.

| S-EPMC3297951 | biostudies-literature

Crystal structure of 2-meth-oxy-2-[(4-meth-oxy-phen-yl)sulfan-yl]-1-phenyl-ethanone.

Project description:In the title β-thio-carbonyl compound, C16H16O3S, the adjacent meth-oxy and carbonyl O atoms are synperiplanar [the O-C-C-O torsion angle is 19.8 (4)°] and are separated by 2.582 (3) Å. The dihedral angle between the rings is 40.11 (16)°, and the meth-oxy group is coplanar with the benzene ring to which it is connected [the C-C-O-C torsion angle is 179.1 (3)°]. The most notable feature of the crystal packing is the formation of methine and methyl C-H⋯O(carbon-yl) inter-actions that lead to a supra-molecular chain with a zigzag topology along the c axis. Chains pack with no specific inter-molecular inter-actions between them.

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Methyl N-({[2-(2-meth-oxy-acetamido)-4-(phenyl-sulfan-yl)phen-yl]amino}[(meth-oxy-carbonyl)imino]methyl)carbamate.

Project description:In the title compound, C(20)H(22)N(4)O(6)S, the phenyl and benzene rings form a dihedral angle of 58.75?(5)°. Intra-molecular N-H?O and N-H?N hydrogen bonds generate two S(6) and one S(7) ring motif, respectively. In the crystal, mol-ecules are linked via N-H?O, N-H?N, C-H?S and C-H?O hydrogen bonds, forming two-dimensional networks parallel to the bc plane.

| S-EPMC3297308 | biostudies-literature

2-[(4-Chloro-phen-yl)sulfan-yl]-2-meth-oxy-1-phenyl-ethan-1-one: crystal structure and Hirshfeld surface analysis.

Project description:The title compound, C15H13ClO2S, comprises (4-chloro-phen-yl)sulfanyl, benzaldehyde and meth-oxy residues linked at a chiral methine-C atom (the crystal is racemic). A twist in the methine-C-C(carbon-yl) bond [O-C-C-O torsion angle = 19.3?(7)°] leads to a dihedral angle of 22.2?(5)° between the benzaldehyde and methine+meth-oxy residues. The chloro-benzene ring is folded to lie over the O atoms, with the dihedral angle between the benzene rings being 42.9?(2)°. In the crystal, the carbonyl-O atom accepts two C-H?O inter-actions with methyl- and methine-C-H atoms being the donors. The result is an helical supra-molecular chain aligned along the c axis; chains pack with no directional inter-actions between them. An analysis of the Hirshfeld surface points to the important contributions of weak H?H and C?C contacts to the mol-ecular packing.

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2-[(Meth-oxy-carbonothio-yl)sulfan-yl]acetic acid.

Project description:The title compound, C(4)H(6)O(3)S(2), features a characteristic xanthate group; the C=S double bond is shorter than the C-S single bond, and the methyl group is coplanar with the xanthate group. In the crystal pairs of mol-ecules form dimers through inter-molecular O-H⋯O hydrogen bonding.

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Diphen-yl[(phenyl-sulfan-yl)meth-yl]-?(5)-phosphane-thione.

Project description:The title compound, C19H17PS2, results from the direct deprotonation of di-phenyl-methyl-phosphine sulfide and subsequent reaction with diphenyl di-sulfide. The C-P and C-S bond lengths of 1.8242?(18) and 1.8009?(18)?Å, respectively, of the central P-C-S linkage are comparable to those found in the sulfonyl analogue, but are considerably longer than those reported for the dimetallated sulfonyl compound. The dihedral angle between the benzene rings of the di-phenyl-methyl moiety is 69.46?(7)°. No distinct inter-molecular inter-actions are present in the crystal structure.

| S-EPMC3998441 | biostudies-literature

2-[(4-Bromo-phen-yl)sulfan-yl]-2-meth-oxy-1-phenyl-ethan-1-one: crystal structure, Hirshfeld surface analysis and computational chemistry.

Project description:The title compound, C15H13BrO2S, comprises three different substituents bound to a central (and chiral) methine-C atom, i.e. (4-bromo-phen-yl)sulfanyl, benzaldehyde and meth-oxy residues: crystal symmetry generates a racemic mixture. A twist in the mol-ecule is evident about the methine-C-C(carbon-yl) bond as evidenced by the O-C-C-O torsion angle of -20.8 (7)°. The dihedral angle between the bromo-benzene and phenyl rings is 43.2 (2)°, with the former disposed to lie over the oxygen atoms. The most prominent feature of the packing is the formation of helical supra-molecular chains as a result of methyl- and methine-C-H⋯O(carbon-yl) inter-actions. The chains assemble into a three-dimensional architecture without directional inter-actions between them. The nature of the weak points of contacts has been probed by a combination of Hirshfeld surface analysis, non-covalent inter-action plots and inter-action energy calculations. These point to the importance of weaker H⋯H and C-H⋯C inter-actions in the consolidation of the structure.

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4-(Dimeth-oxy-meth-yl)phenyl 2,3,4,6-tetra-O-acetyl-?-d-glucopyran-oside.

Project description:The enanti-omerically pure title compound, C(23)H(30)O(12), crystallizes in the chiral space group P2(1)2(1)2(1). The O-acetyl-ated-glucopyran-oside moiety adopts a chair conformation. Numerous C-H?O inter-actions as well as a C-H?? inter-action are present in the crystal structure.

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1-(3-Meth-oxy-phen-yl)-2-(phenyl-sulfon-yl)ethan-1-one.

Project description:In the title compound, C(15)H(14)O(4)S, the dihedral angle between the benzene and phenyl rings is 88.74?(10)°. In the crystal, mol-ecules are linked into a three-dimensional network by C-H?O hydrogen bonds and ?-? stacking inter-actions [centroid-centroid distances = 3.6092?(13)-3.8651?(13)?Å].

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1-Meth-oxy-4-({[(4-meth-oxy-phen-yl)-sulfan-yl](phen-yl)meth-yl}sulfan-yl)benzene.

Project description:The title compound, C(21)H(20)O(2)S(2), forms a propeller-shaped structure with the tetra-hedral C atom as the central hub and meth-oxy-benzene and phenyl residues as radiating blades. Short C-H?? contacts are observed.

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