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N-(2,6-Dimethyl-3-oxo-1-thia-4-aza-spiro-[4.5]dec-4-yl)-2-hydr-oxy-2,2-di-phenyl-acetamide.

ABSTRACT: In the title compound, C(24)H(28)N(2)O(3)S, the pendant methyl C atom bonded to the cyclo-hexane ring is disordered over two sites in a 0.580?(11):0.420?(11) ratio. The cyclo-hexane ring adopts a distorted chair conformation while the thia-zolidine ring has an envelope conformation. The two phenyl rings make a dihedral angle of 71.8?(2)° with each other. The conformation is stabilized by an intra-molecular N-H?O hydrogen bond. In the crystal structure, an inter-molecular hydrogen bond O-H?O occurs.

SUBMITTER: Yalc?n SP

PROVIDER: S-EPMC2959300 | biostudies-literature | 2008 Sep

REPOSITORIES: biostudies-literature

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N-(2,6-Dimethyl-3-oxo-1-thia-4-aza-spiro-[4.5]dec-4-yl)-2-hydr-oxy-2,2-di-phenyl-acetamide.

Yalçın Serife Pınar SP Akkurt Mehmet M Sahin Ertan E Güzel Ozlen O Salman Aydın A Ihan Eser E

Acta crystallographica. Section E, Structure reports online 20080913 Pt 10

In the title compound, C(24)H(28)N(2)O(3)S, the pendant methyl C atom bonded to the cyclo-hexane ring is disordered over two sites in a 0.580 (11):0.420 (11) ratio. The cyclo-hexane ring adopts a distorted chair conformation while the thia-zolidine ring has an envelope conformation. The two phenyl rings make a dihedral angle of 71.8 (2)° with each other. The conformation is stabilized by an intra-molecular N-H⋯O hydrogen bond. In the crystal structure, an inter-molecular hydrogen bond O-H⋯O occu ...[more]

PMID: 21201127

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2-[2-(2,6-Dichloro-anilino)phen-yl]-N-[(2S)-2-methyl-3-oxo-8-phenyl-1-thia-4-aza-spiro-[4.5]dec-4-yl]acetamide.

Project description:In the title compound, C(29)H(29)Cl(2)N(3)O(2)S, the phenyl ring is disordered over two orientations with occupancies of 0.55 (3) and 0.45 (3). The mol-ecular packing in the crystal is stabilized by inter-molecular N-H⋯O inter-actions, linking the mol-ecules into infinite chains along the c axis. In addition, there are weak C-H⋯S and C-H⋯π inter-actions.

| S-EPMC2983948 | biostudies-literature

N-(3-Oxo-1-thia-4-aza-spiro-[4.5]dec-4-yl)-6-phenyl-imidazo[2,1-b][1,3]thia-zole-3-acetamide hemihydrate.

Project description:The title compound, C(21)H(22)N(4)O(2)S(2)·0.5H(2)O, crystallizes with two mol-ecules in the asymmetric unit. The dihedral angles between the phenyl and imidazothiazole ring systems are 19.16?(9) and 21.37?(9)°. In the imidazothiazole ring systems, the cyclohexane rings adopt chair conformations, while the thiazole rings have distorted envelope conformations. The two mol-ecules are stabilized by intra-molecular N-H?O, O-H?O and C-H?S inter-actions and the crystal structure is stabilized by inter-molecular N-H?O, O-H?O, C-H?O and C-H?N inter-actions.

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Project description:In the title compound, C24H24FN3O2S, the 1,3-thia-zolidine ring adopts an envelope conformation with the S atom as the flap, while the cyclo-hexane ring is in a chair conformation. In the crystal, mol-ecules are linked by N-H?O and C-H?F hydrogen bonds, forming a three-dimensional network. The unit cell contains six voids of 57?Å(3), but the residual electron density (highest peak = 0.23?e?Å(-3) and deepest hole = -0.19?e?Å(-3)) in the difference Fourier map suggests no solvent mol-ecule occupies this void.

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8-Ethyl-2-hydr-oxy-2-methyl-4-morpholinoethyl-1-thia-4-aza-spiro-[4.5]decan-3-one.

Project description:Mol-ecules of the title spiro-[4.5]decane derivative, C(17)H(30)N(2)O(3)S, are linked by paired O-H?N hydrogen bonds into centrosymmetric R(2) (2)(16) dimers and these dimers are linked into a three-dimensional framework structure by C-H?O interactions.

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Project description:In the title compound, C13H15N3S, the 4,5-di-hydro-3H-1,2,4-triazole ring is nearly planar [maximum deviation = 0.020?(1)?Å], while the cyclo-hexane ring adopts a chair conformation. The dihedral angle between the 4,5-di-hydro-3H-1,2,4-triazole ring and the phenyl ring is 74.68?(7)°. No specific inter-molecular inter-actions are discerned in the crystal packing.

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Project description:In the title compound, C(21)H(23)NOS, the thia-zolidine ring adopts a twist conformation about one of its C-S bonds, while the cyclo-hexane ring has a chair conformation. The S and N atoms attached to the spiro C atom are in axial and equatorial orientations, respectively. The thia-zolidine ring forms dihedral angles of 86.24?(14) and 31.82?(15)° with the directly attached and remote terminal benzene rings, respectively. The dihedral angle between the two terminal benzene rings is 86.74?(14)°. In the crystal, the only significant directional inter-action is a weak C-H?? bond, which generates [010] chains.

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4-(Pyrimidin-2-yl)-1-thia-4-aza-spiro-[4.5]decan-3-one.

Project description:The title compound, C(12)H(15)N(3)OS, features an envelope conformation for the 1,3-thia-zolidin-4-one ring with the S atom as the flap atom. The pyrimidine ring is almost orthogonal to the 1,3-thia-zolidin-4-one ring as indicated by the N-C-C-N torsion angle of -111.96?(18)°. Supra-molecular dimers are formed in the crystal structure through the agency of C-H?O contacts occurring between centrosymmetrically related mol-ecules. These are linked into supra-molecular tapes along [100] via C-H?S contacts.

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2-[6-(4-Bromo-phen-yl)imidazo[2,1-b][1,3]thia-zol-3-yl]-N-[8-(4-hy-droxy-phen-yl)-2-methyl-3-oxo-1-thia-4-aza-spiro-[4.5]decan-4-yl]acetamide ethanol disolvate.

Project description:In the title compound, C(28)H(27)BrN(4)O(3)S(2)·2C(2)H(6)O, the cyclo-hexane ring adopts a chair conformation. The imidazo[2,1-b][1,3]thia-zole ring system is essentially planar with a dihedral angle of 1.1?(2)° between the thia-zole and imidazole rings. The mean plane of this ring system makes dihedral angles of 8.11?(16) and 79.43?(17)°, respectively, with the bromo- and hy-droxy-substituted benzene rings. In the 5-methyl-1,3-thia-zolidin-4-one group, the S atom, the methyl group and the ring C atoms bonded to them are disordered over two sets of sites with refined occupancies of 0.610?(19) and 0.390?(19). The crystal structure features N-H?O, O-H?O, O-H?N and C-H?O hydrogen bonds and C-H?? inter-actions. Furthermore, two weak ?-? stacking inter-actions [centroid-centroid distances = 3.967?(3) and 3.892?(2)?Å] are also observed.

| S-EPMC3344614 | biostudies-literature

8-Methyl-4-morpholinoethyl-1-thia-4-aza-spiro-[4.5]decan-3-one.

Project description:In the title compound, C(15)H(26)N(2)O(2)S, the cyclo-hexane and morpholine rings adopt chair conformations, while the thia-zole ring has a twist conformation. An intra-molecular C-H?S hydrogen-bond inter-action forms a five-membered ring. The crystal packing involves C-H?O=C inter-molecular inter-actions where carbonyl O atoms act as double acceptors to two symmetrically related H atoms.

| S-EPMC2962192 | biostudies-other

rac-2-Hydroxy-2,8-dimethyl-4-morpho-linoethyl-1-thia-4-aza-spiro-[4.5]decan-3-one.

Project description:The title compound, C(16)H(28)N(2)O(3)S, is dimerized by inversion symmetry-related inter-molecular O-H?N hydrogen bonding, forming an R(2) (2)(16) motif. The dimers are also linked through inter-molecular C-H?O hydrogen bonding. The compound is chiral with a stereogenic centre located in the thia-zole ring, but in the crystal structure it forms a racemate. The thia-zole ring has an envelope conformation, while the cyclo-hexane and morpholine rings adopt chair conformations.

| S-EPMC2962193 | biostudies-literature

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