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

ABSTRACT: 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.

SUBMITTER: Kashif MK

PROVIDER: S-EPMC2960434 | biostudies-literature | 2008 Jan

REPOSITORIES: biostudies-literature

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

Kashif M Kaleem MK Hussain Abid A Khawar Rauf M M Ebihara Masahiro M Hameed Shahid S

Acta crystallographica. Section E, Structure reports online 20080116 Pt 2

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. ...[more]

PMID: 21201471

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].

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5-(4-Hy-droxy-phen-yl)imidazolidine-2,4-dione.

Project description:The title compound, C9H8N2O3, was prepared by reaction of phenol, glyoxylic acid and urea in water. The imidazolidine ring adopts an almost planar conformation (r.m.s. deviation = 0.012?Å) and is twisted by 89.3?(1)° relative to the benzene ring. In the crystal, mol-ecules are linked by N-H?O and O-H?O hydrogen bonds into a three-dimensional framework.

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

Project description: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.

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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.

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9-(2,4-Di-fluoro-phen-yl)-3,3,6,6-tetra-methyl-3,4,5,6,7,9-hexa-hydro-2H-xanthene-1,8-dione.

Project description:In the title compound, C23H24F2O3, the central pyran ring has a flat-boat conformation, whereas the two fused cyclo-hexenone rings adopt envelope conformations, with the C atom bearing the dimethyl substituent being the flap atom in each case. The pyran ring mean plane and the di-fluoro-phenyl ring are almost normal to each other, making a dihedral angle of 87.55 (4)°. In the crystal, mol-ecules are linked by pairs of C-H⋯O hydrogen bonds, forming inversion dimers with an R 2 (2)(8) ring motif. The F atom at position 2 on the di-fluoro-phenyl ring is disordered over the 2- and 6-positions, and has a refined occupancy ratio of 0.932 (3):0.068 (3).

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(E)-1-[(2-Hy-droxy-1-naphth-yl)methyl-idene-amino]-imidazolidine-2,4-dione.

Project description:The title compound, C(14)H(11)N(3)O(3), adopts an E or trans configuration with respect to the C=N bond. In the mol-ecule there is an intra-molecular O-H⋯N hydrogen bond involving the hy-droxy substituent at the 2-positon of the naphthalene ring and the adjacent methyl-ene-amino N atom. The mol-ecule is roughly planar, the dihedral angle between the naphthalene and imidazolidine-2,4-dione mean planes being 8.4 (1)°. In the crystal, pairs of N-H⋯O hydrogen bonds link mol-ecules into inversion dimers. These dimers are futher linked via C-H⋯O inter-actions, forming a three-dimensional network.

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Crystal structures of (S)-(+)-5-(3-bromo/chloro-4-isopropoxyphen-yl)-5-methyl-imidazolidine-2,4-dione.

Project description:In (S)-(+)-5-(3-bromo-4-isopropoxyphen-yl)-5-methyl-imidazolidine-2,4-dione, C13H15BrN2O3, (I), the hydantoin groups are connected via inter-molecular N-H⋯O hydrogen bonds, forming a terraced sheet structure. In the chloro analogue, (S)-(+)-5-(3-chloro-4-isopropoxyphen-yl)-5-methyl-imidazolidine-2,4-dione, C13H15ClN2O3, (II), the inter-molecular N-H⋯O hydrogen-bonding network forms a flat sheet. Comparison of the crystal structures reveals that (II) is more loosely packed than (I).

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