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1-(4-Methoxy-phenyl-sulfon-yl)-5-methyl-5-phenyl-imidazolidine-2,4-dione.

ABSTRACT: The title compound, C(17)H(16)N(2)O(5)S, crystallized in the chiral monoclinic space group P2(1), with two enanti-omeric mol-ecules (A and B) in the asymmetric unit. It is composed of a methyl-imidazolidine-2,4-dione unit substituted with a phenyl group and a 4-methoxy-phenyl-sulfonyl group. The benzene ring mean planes are inclined to one another by 22.20?(14)° in mol-ecule A and by 15.82?(13)° in mol-ecule B. In the crystal structure, the A and B mol-ecules are linked by N-H?O hydrogen bonds, forming centrosymmetric dimers. A number of C-H?O inter-actions are also present in the crystal structure, leading to the formation of a three-dimensinoal network.

SUBMITTER: Hussain A

PROVIDER: S-EPMC2969567 | biostudies-literature | 2009 May

REPOSITORIES: biostudies-literature

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1-(4-Methoxy-phenyl-sulfon-yl)-5-methyl-5-phenyl-imidazolidine-2,4-dione.

Hussain Abid A Hameed Shahid S Stoeckli-Evans Helen H

Acta crystallographica. Section E, Structure reports online 20090507 Pt 6

The title compound, C(17)H(16)N(2)O(5)S, crystallized in the chiral monoclinic space group P2(1), with two enanti-omeric mol-ecules (A and B) in the asymmetric unit. It is composed of a methyl-imidazolidine-2,4-dione unit substituted with a phenyl group and a 4-methoxy-phenyl-sulfonyl group. The benzene ring mean planes are inclined to one another by 22.20 (14)° in mol-ecule A and by 15.82 (13)° in mol-ecule B. In the crystal structure, the A and B mol-ecules are linked by N-H⋯O hydrogen bonds, ...[more]

PMID: 21583077

Similar Datasets

1-(4-Chloro-phenyl-sulfon-yl)-5-(4-fluoro-phen-yl)-5-methyl-imidazolidine-2,4-dione.

Project description:The title compound, C(16)H(12)ClFN(2)O(4)S, crystallizes with two independent mol-ecules (A and B) in the asymmetric unit. The two mol-ecules are U-shaped with similar geometries and conformations. The mean planes through the benzene rings are inclined to one another by 6.07 (8)° in mol-ecule A and 8.67 (8)° in mol-ecule B. They are separated with a centroid-centroid distance of 3.9096 (10) Å in mol-ecule A and 3.9118 (10) Å in mol-ecule B. Mol-ecules A and B lie adjacent to one another, with a centroid-centroid distance of 3.7592 (10) Å between the fluoro-phenyl ring of mol-ecule A and the chloro-phenyl-sulfonyl ring of mol-ecule B and with a dihedral angle of 5.75 (8)° between the ring planes. In the crystal structure, A and B mol-ecules are linked by N-H⋯O hydrogen bonds, forming centrosymmetric dimers. These dimers stack along the [110] direction and are linked by C-H⋯O and C-H⋯F inter-actions. There are also some short halide⋯halide contacts [Cl⋯F = 3.0499 (14) and 3.1224 (13) Å, and F⋯F = 3.0612 (17) Å].

| S-EPMC2968985 | biostudies-literature

1-(4-Methoxy-phen-yl)imidazolidine-2,4-dione.

Project description:In the title compound, C(10)H(10)N(2)O(3), the dihedral angle between the benzene and imidazolidine rings is 6.0?(4)°, consistent with an essentially planar mol-ecule. In the crystal, inter-molecular N-H?O hydrogen bonding between centrosymmetrically related mol-ecules leads to loosely associated dimeric aggregates. These are connected into a three-dimensional network by C-H?O inter-actions, as well as ?-? inter-actions [centroid-centroid distances = 3.705?(3) and 3.622?(3)?Å] between the imidazolidine and benzene rings.

| S-EPMC2979635 | biostudies-literature

(2E)-2-(2,4-Dichloro-phenyl-sulfon-yl)-3-(3-methoxy-anilino)-3-(methyl-sulfan-yl)acrylonitrile.

Project description:The title compound, C(17)H(14)Cl(2)N(2)O(3)S(2), and the 4-methyl-anilino analogue reported in the following paper have been used as starting materials to develop benzothia-zine derivatives with anti-malarial activity. The mol-ecule displays an E (trans) configuration about the central double bond. Due to conjugation in the C=C-C N group, the putative single bond shows a significant shortening [1.421 (3) Å]. The mol-ecule has a six-membered ring involving an intra-molecular N-H⋯O(sulfon-yl) bond, which is an example of resonance-assisted hydrogen bonding. There is also an intra-molecular N-H⋯Cl hydrogen bond. In the crystal structure, bonds of the C-H⋯O(sulfon-yl) type form chains that run along [101], while N-H⋯O(sulfon-yl) bonds connect centrosymmetrically related molecules in pairs of these chains, forming ribbons. Comparison of the N⋯O distances in the intra- and inter-molecular N-H⋯O(sulfon-yl) bonds reveals that the π-bond co-operativity results in a strengthening of the intra-molecular hydrogen bond. There are also π-π inter-actions between benzene rings of pairs of centrosymmetrically related mol-ecules [centroid-centroid distance = 3.8612 (13) Å], as well as C-H⋯π interactions.

| S-EPMC2961343 | biostudies-literature

5-(4-Fluoro-phen-yl)-5-methyl-imidazolidine-2,4-dione.

Project description:In the title compound, C(10)H(9)FN(2)O(2), the dihedral angle between the hydantoin unit and the benzene ring is 65.55 (5)°. The atoms in the hydantoin ring are coplanar, with a mean deviation of 0.015 Å and a maximum deviation of 0.075 (2) Å for one carbonyl O atom. N-H⋯O hydrogen bonds link the mol-ecules into one-dimensional chains, with one carbonyl group acting as a bifurcated acceptor and the other accepting no hydrogen bonds.

| S-EPMC2960434 | biostudies-literature

3-(4-Bromo-phenyl-sulfon-yl)-8-methyl-1,3-diaza-spiro-[4.5]decane-2,4-dione.

Project description:The crystal structure of the title compound, C(15)H(17)BrN(2)O(4)S, is stabilized by inter-molecular N-H?O hydrogen bonds which link the mol-ecules into centrosymmetric dimers. The dihedral angle subtended by the 4-bromo-phenyl group with the mean plane passing through the hydantoin unit is 83.29?(5)°. The cyclo-hexyl group adopts an ideal chair conformation with the methyl group in an equatorial position.

| S-EPMC2977264 | biostudies-literature

3-Amino-5,5-di-phenyl-imidazolidine-2,4-dione.

Project description:The title compound, C15H13N3O2, crystallizes with two independent mol-ecules in the asymmetric unit, which differ considerably in the dihedral angles made between the phenyl groups and the five-membered rings [47.19 (8) and 61.16 (9)° in one mol-ecule and 55.04 (10) and 55.00 (8)° in the other]. In the crystal, N-H⋯O hydrogen bonds generate columnar units having approximate fourfold rotational symmetry about axes parallel to b.

| S-EPMC3998397 | biostudies-literature

3-Isobutyl-5,5-di-phenyl-imidazolidine-2,4-dione.

Project description:The imidazolidine ring in the title mol-ecule, C19H20N2O2, is slightly 'ruffled'. In the crystal, a layer structure is generated by N-H⋯O and C-H⋯O hydrogen bonds plus C-H⋯π(ring) inter-actions.

| S-EPMC9462038 | biostudies-literature

3-[2-(4-Fluoro-phen-yl)-2-oxoeth-yl]-5,5-di-phenyl-imidazolidine-2,4-dione.

Project description:The title compound, C23H17FN2O3, crystallizes with two independent mol-ecules in the asymmetric unit. The mol-ecules are connected by pairs of N-H⋯O hydrogen bonds and have slightly different conformations, as indicated by the dihedral angles between the central imidazolidine-2,4-dione ring and its three substituents. In one mol-ecule, these are 60.56 (1) and 82.66 (9)° to the phenyl rings and 84.35 (16)° to the 2-(4-fluoro-phen-yl)-2-oxoethyl side chain. In the other mol-ecule, the corresponding angles are 66.35 (10), 84.94 (9) and 86.31 (16)°. In the crystal, weak C-H⋯O inter-actions leading to a three-dimensional supramolecular architecture.

| S-EPMC3998365 | biostudies-literature

3-Hy-droxy-methyl-1-(4-meth-oxy-phen-yl)imidazolidine-2,4-dione.

Project description:In the title mol-ecule, C(11)H(12)N(2)O(4), the dihedral angle between the benzene ring and imidazolidine ring is 7.1?(5)°. In the crystal structure, the hy-droxy groups are involved in the formation of inter-molecular O-H?O hydrogen bonds, which link the mol-ecules related by translation into C(2) chains along the b axis.

| S-EPMC3007295 | biostudies-literature

12-Tungstophospho-ric acid-1,1'-methyl-enebis(imidazolidine-2,4-dione)-imidazolidine-2,4-dione-water (2/1/4/21.5).

Project description:In the asymmetric unit of the title organic-inorganic hybrid material, 2{H(3)[PW(12)O(40)]}·4C(3)H(4)N(2)O(2)·C(7)H(8)N(4)O(4)·21.5H(2)O, there are four crystallographically independent hydantoin mol-ecules, one dimerized hydantoin mol-ecule, viz. 1,1'-methyl-enebis(imidazolidine-2,4-dione, two independent H(3)PW(12)O(40) mol-ecules and 21.5 solvent water mol-ecules. Nine of the solvent water mol-ecules were refined as 0.5 occupancy. The tungstophosphoric acid moieties show characteristic features with respect to the bond lengths and angles.

| S-EPMC3007030 | biostudies-literature

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