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5-Isopropyl-5-methyl-2-sulfanylidene-imidazolidin-4-one.

ABSTRACT: In the title compound, C7H12N2OS, the 2-sulfanylideneimidazolidin-4-one moiety is nearly planar, with a maximum deviation of 0.054 (2) Å. In the crystal, a pair of N-H⋯O hydrogen bonds and a pair of N-H⋯S hydrogen bonds each form a centrosymmetric ring with an R 2 (2)(8) graph-set motif. The enanti-omeric R and S mol-ecules are alternately linked into a tape along [1-10] via these pairs of hydrogen bonds.

SUBMITTER: Ichitani M

PROVIDER: S-EPMC3685094 | biostudies-literature |

REPOSITORIES: biostudies-literature

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rac-5-(1-Methyl-eth-yl)-2-sulfanylidene-imidazolidin-4-one.

Project description:In the title compound, C6H10N2OS, the 2-sulfanylideneimidazolidin-4-one fragment is essentially planar (r.m.s. deviation = 0.0033?Å). In the crystal, one amino group is involved in N-H?O hydrogen bonding, which links pairs of mol-ecules into inversion dimers, while the other amino group generates weak N-H?S hydrogen bonds, which link these dimers into chains in [10-1]. The chains are further aggregated into layers parallel to the ac plane through weak C-H?O inter-actions.

| S-EPMC3647842 | biostudies-other

1-Acetyl-5-isobutyl-2-sulfanylidene-imidazolidin-4-one.

Project description:There are two independent mol-ecules in the asymmetric unit of the title compound, C(9)H(14)N(2)O(2)S. In the crystal, the mol-ecules are linked by N-H⋯O hydrogen bonds, forming a chain along the a axis.

| S-EPMC2983327 | biostudies-literature

3-Benzyl-6-methyl-2-sulfanylidene-2,3-di-hydroquinazolin-4(1H)-one.

Project description:In the title compound, C(16)H(14)N(2)OS, the quinazoline ring system is essentially planar, with a maximum deviation of 0.029 (3) Å. The dihedral angle between the quinazoline and benzene rings is 88.4 (2)°. In the crystal, adjacent mol-ecules are connected via pairs of N-H⋯S and C-H⋯O hydrogen bonds, which generate R(2) (2)(8) and R(2) (2)(10) graph-set motifs, respectively, resulting in a supra-molecular chain along the a axis.

| S-EPMC3295489 | biostudies-literature

2-Isopropyl-6-methyl-pyrimidin-4(3H)-one.

Project description:The mol-ecular structure of the title compound, C(8)H(12)N(2)O, indicates that 2-isopropyl-6-methyl-pyrimidin-4-ol (the enol-form) undergoes an enol-to-keto tautomerism during the crystallization process. The pyrimidin-4(3H)-one group is essentially planar, with a maximum deviation of 0.081 (1) Å for the O atom. In the crystal structure, symmetry-related mol-ecules are linked into centrosymmetic dimers via pairs of inter-molecular N-H⋯O hydrogen bonds, generating R(2) (2)(8) rings. These dimers are stacked along the a axis.

| S-EPMC3008064 | biostudies-literature

(Z)-2-Sulfanyl-idene-5-(thio-phen-2-yl-methyl-idene)imidazolidin-4-one.

Project description:The mol-ecule of the title compound, C(8)H(6)N(2)OS(2), has a V shape with two five-membered rings attached to a methyl-ene C atom. All non-H atoms are approximately coplanar (r.m.s. deviation = 0.096?Å). In the crystal, mol-ecules are linked by N-H?O hydrogen bonds into layers. The thio-phene ring is disordered over two positions; the major orientation has an occupancy of 0.683?(3). is there an intramolecular N---H...S bond?

| S-EPMC3200739 | biostudies-literature

Crystal structure of 4-azido-methyl-6-isopropyl-2H-chromen-2-one.

Project description:In the title mol-ecule, C13H13N3O2, the benzo-pyran ring system is essentially planar, with a maximum deviation of 0.017 (1) Å. In the crystal, weak C-H⋯O hydrogen bonds link mol-ecules into ladders along [010]. In addition, π-π inter-actions between inversion-related mol-ecules, with centroid-centroid distances in the range 3.679 (2)-3.876 (2) Å, complete a two-dimensional network parallel to (001).

| S-EPMC4438796 | biostudies-literature

meso-4,5-Diphenyl-imidazolidin-2-one.

Project description:The crystal structure determination of the title compound, C(15)H(14)N(2)O, confirms the cis relationship between the phenyl groups at the 4- and 5-positions on the imidazolidine ring. The dihedral angle between the two phenyl rings is 48.14 (6)°. In the crystal structure, inter-molecular N-H⋯O hydrogen bonds link mol-ecules into centrosymmetric dimers. These dimers are, in turn, linked into a two-dimensional network via weak N-H⋯π(arene) inter-actions and π-π stacking inter-actions with centroid-centroid distances of 3.6937 (11) Å.

| S-EPMC2971968 | biostudies-literature

8-Eth-oxy-3-(4-isopropyl-benzyl-idene)-6-methyl-chroman-4-one.

Project description:In the title compound, C(22)H(24)O(3), the non-fused benzene ring makes a dihedral angle of 52.56 (7)° with the benzene ring of the chromanone unit. The mol-ecular structure is stabilized by a weak intra-molecular C-H⋯O inter-action and the crystal packing is stabilized by weak inter-molecular C-H⋯O inter-actions. The isopropyl group is disordered over two positions, with site occupancies of 0.48/0.52.

| S-EPMC2915370 | biostudies-literature

(5R,6S)-4-Isopropyl-5-methyl-6-phenyl-3-propanoyl-2H-1,3,4-oxadiazinan-2-one.

Project description:The title compound, C(16)H(22)N(2)O(3), was synthesized during the course of a study on (1R,2S)-norephedrine-derived 1,3,4-oxadiazinan-2-ones. The conformation adopted by the isopropyl group is pseudo-axial relative to the oxadiazinan core. The allylic strain contributes to this conformational arrangement.

| S-EPMC2969394 | biostudies-literature

6-Cyclo-hexyl-methyl-2-cyclo-hexyl-sul-fanyl-5-isopropyl-pyrimidin-4(3H)-one.

Project description:The title compound, C(20)H(32)N(2)OS, was obtained during the course of our investigation on 2-alkylsulfanyl-6-benzyl-3,4-dihydropyrimidin-4(3H)-ones (S-DABOs) showing favourable anti-HIV-1 activity. Both cyclo-hexane rings adopt chair conformations. The angle at the methyl-ene C atom linking the pyrimidine and cyclo-hexane ring is 113.7?(3)°, which is in the range considered optimal for maximum activity of non-nucleoside reverse transcriptase inhibitors. Inter-molecular N-H?O hydrogen bonds link the mol-ecules into dimers and stabilize the crystal structure of the compound. In addition, an intra-molecular C-H?O hydrogen bond is observed.

| S-EPMC2960565 | biostudies-literature

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