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2,3-Diphenyl-1,3-thia-zolidin-4-one.

ABSTRACT: The title compound, C15H13NOS, is a chiral mol-ecule crystallized as a racemate, with two molecules in the asymmetric unit. In each of the mol-ecules, the five-membered thia-zine ring has an envelope conformation, with the S atom forming the flap. In one mol-ecule, the angle between the two phenyl-ring planes is 82.77?(7)°, while in the other it is 89.12?(6)°. In the crystal, mol-ecules are linked into chains along the b-axis direction by C-H?O hydrogen bonds.

SUBMITTER: Yennawar HP

PROVIDER: S-EPMC4158525 | biostudies-literature | 2014 Aug

REPOSITORIES: biostudies-literature

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2,3-Diphenyl-1,3-thia-zolidin-4-one.

Yennawar Hemant P HP Tierney John J Silverberg Lee J LJ

Acta crystallographica. Section E, Structure reports online 20140702 Pt 8

The title compound, C15H13NOS, is a chiral mol-ecule crystallized as a racemate, with two molecules in the asymmetric unit. In each of the mol-ecules, the five-membered thia-zine ring has an envelope conformation, with the S atom forming the flap. In one mol-ecule, the angle between the two phenyl-ring planes is 82.77 (7)°, while in the other it is 89.12 (6)°. In the crystal, mol-ecules are linked into chains along the b-axis direction by C-H⋯O hydrogen bonds. ...[more]

PMID: 25249899

Similar Datasets

Crystal structures of 2,3-bis-(4-chloro-phen-yl)-1,3-thia-zolidin-4-one and trans-2,3-bis-(4-chloro-phen-yl)-1,3-thia-zolidin-4-one 1-oxide.

Project description:In the crystal structures of the title compounds, C15H11Cl2NOS, (1), and C15H11Cl2NO2S, (2), wherein (2) is the oxidized form of (1), the thia-zolidine ring is attached to two chloro-phenyl rings. The chloro-phenyl ring on the 2-carbon atom position points in the same direction as that of the S atom in (1), while in (2), the S atom points in the opposite direction. The O atom on the chiral S atom in (2) is trans to the chloro-phenyl ring on the 2-carbon. The chloro-phenyl ring planes in each structure are close to orthogonal, making dihedral angles of 78.61 (6) and 87.46 (8)° in (1) and (2), respectively. The thia-zolidine ring has a twisted conformation on the S-Cmethine bond in (1), and an envelope conformation with the S atom 0.715 (3) Å out of the plane of other four atoms in (2). In the crystal of (1), mol-ecules are linked by C-H⋯O hydrogen bonds, as well as by slipped parallel π-π inter-actions [inter-centroid distance = 3.840 (3) Å] between inversion-related phenyl rings, forming sheets parallel to (001). In the crystal of (2), mol-ecules are linked via C-H⋯O and C-H⋯Cl hydrogen bonds, forming slabs parallel to (001).

| S-EPMC4350739 | biostudies-literature

2,3-Diphenyl-2,3-di-hydro-4H-1,3-benzo-thia-zin-4-one.

Project description:In the title compound, C20H15NOS, the dihedral angle between the phenyl rings is 74.25 (6)°. The six-membered 1,3-thia-zine ring has an envelope conformation with the C atom at the 2-position forming the flap. The crystal structure features weak C-H⋯O inter-actions, which lead to the formation of a tape motif along [110].

| S-EPMC3998534 | biostudies-literature

2,3-Diphenyl-2,3,5,6-tetra-hydro-4H-1,3-thia-zin-4-one.

Project description:The six-membered thia-zine ring in the title compound, C16H15NOS, adopts a half-chair conformation, with the S atom forming the back of the chair. The base of the chair has a slight twist reflected in the r.m.s. deviation (0.0756 Å) of those five atoms from the plane defined by them. The phenyl substituents are almost perpendicular to each other [dihedral angle 87.06 (9)°]. In the crystal, mol-ecules are linked into chains parallel to the c axis through C-H⋯O inter-actions.

| S-EPMC3998299 | biostudies-literature

2-(2,4-Diphenyl-3-aza-bicyclo-[3.3.1]nonan-9-ylidenehydrazono)-1,3-thia-zolidin-4-one.

Project description:In the title compound, C(23)H(24)N(4)OS, the piperidine and cyclo-hexane rings adopt twin chair conformations and the phenyl groups occupy equatorial positions. The dihedral angle between the two benzene rings is 10.25?(12)°. The crystal structure is stabilized by intermolecular N-H?O hydrogen bonds with the formation of centrosymmetric dimers.

| S-EPMC2968662 | biostudies-literature

3-Benzyl-2-phenyl-1,3-thia-zolidin-4-one.

Project description:In the title compound, C(16)H(15)NOS, the thia-zolidine ring, which is essentially planar [maximum deviation = 0.071?(2)?Å], makes dihedral angles of 88.01?(8) and 87.21?(8)° with the terminal phenyl rings. The dihedral angle between the phenyl rings is 49.45?(5)°. In the crystal, mol-ecules are linked by a weak inter-molecular C-H?O hydrogen bond, forming a supra-molecular chain along the b axis. Furthermore, the crystal packing is stabilized by a weak C-H?? inter-action.

| S-EPMC3201390 | biostudies-literature

3-Benzyl-2-sulfanyl-idene-1,3-thia-zolidin-4-one.

Project description:In the title compound, C(10)H(9)NOS(2), the five-membered heterocyclic ring and the benzyl moiety are oriented at a dihedral angle of 77.25?(4)°. In the crystal, infinite polymeric C(6) chains extending along [001] are formed due to C-H?O hydrogen bonds. C-H?? inter-actions link the chains, building up a three-dimensional network.

| S-EPMC3050282 | biostudies-literature

3-Cyclo-hexyl-2-thioxo-1,3-thia-zolidin-4-one.

Project description:In the title compound, C(9)H(13)NOS(2), the complete mol-ecule is generated by crystallographic mirror symmetry, with all the non-H atoms of the rhodanine (2-thioxo-1,3-thia-zolidin-4-one) system and two C atoms of the cyclo-hexyl ring lying on the reflecting plane. The conformation is stabilized by intra-molecular C-H⋯O and C-H⋯S inter-actions. In the crystal, weak π-π inter-actions at a distance of 3.8140 (5) Å between the centroids of the heterocyclic rings occur.

| S-EPMC2971948 | biostudies-literature

2,3-Diphenyl-2,3-di-hydro-4H-pyrido[3,2-e][1,3]thia-zin-4-one.

Project description:In the racemic title compound, C19H14N2OS, the two phenyl substituents on the 1,3-thia-zine ring are almost perpendicular to the pyridine ring which is fused to the thia-zine ring [inter-ring dihedral angles = 87.90?(8) and 85.54?(7)°]. The dihedral angle between the two phenyl rings is 75.11?(7)°. The six-membered thia-zine ring has an envelope conformation with the ortho-related C atom forming the flap. The crystals exhibit face-to-edge aromatic-ring interactions with the nearest C-H?C distance equal to 3.676?(3)?Å.

| S-EPMC4051078 | biostudies-other

3-Benzyl-2-(furan-2-yl)-1,3-thia-zolidin-4-one.

Project description:In the title compound, C(14)H(13)NO(2)S, the thia-zolidine ring is approximately planar with a maximum deviation of 0.112?(1)?Å. The furan ring is disordered over two orientations, with an occupancy ratio of 0.901?(5):0.099?(5). The central thia-zolidine ring makes dihedral angles of 85.43?(8), 87.50?(11) and 87.9?(9)° with the phenyl ring and the major and minor components of the disordered furan ring, respectively. In the crystal, mol-ecules are connected by weak inter-molecular C-H?O hydrogen bonds, forming supra-molecular chains parallel to the b axis.

| S-EPMC3201349 | biostudies-literature

Crystal structure of 2,3-diphenyl-2,3-di-hydro-4<i>H</i>-1,3-benzo-thia-zin-4-one 1-oxide.

Project description:In the racemic title compound, C20H15NO2S, the planes of the two phenyl substituents form dihedral angles of 48.97 (15) and 69.26 (15)° with that of the fused benzene ring of the parent benzo-thia-zine ring, while the heterocyclic thia-zine ring exhibits a screw-boat pucker. The O atom on the S atom of the ring is pseudo-axial on the thia-zine ring and trans to the 2-phenyl group. In the crystal, mol-ecules are arranged in layers in the ac plane, the layers being linked across b through inter-molecular C-H⋯O hydrogen-bonding inter-actions.

| S-EPMC5598846 | biostudies-literature

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