Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

6,7-Diphenyl-5-thia-7-aza-spiro-[2.6]nonan-8-one.

ABSTRACT: The asymmetric unit of the title compound, C19H19NOS, contains two independent mol-ecules (A and B), in both of which the 1,3-thia-zepan-4-one ring adopts a chair-type conformation. The dihedral angles between the two phenyl rings are 65.28?(8) and 60.31?(9)° for mol-ecules A and B, respectively. In the crystal, mol-ecules are linked by weak C-H?O inter-actions, resulting in a three-dimensional network.

SUBMITTER: Yennawar HP

PROVIDER: S-EPMC3884320 | biostudies-literature | 2013 Oct

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

6,7-Diphenyl-5-thia-7-aza-spiro-[2.6]nonan-8-one.

Yennawar Hemant P HP Silverberg Lee J LJ

Acta crystallographica. Section E, Structure reports online 20131019 Pt 11

The asymmetric unit of the title compound, C19H19NOS, contains two independent mol-ecules (A and B), in both of which the 1,3-thia-zepan-4-one ring adopts a chair-type conformation. The dihedral angles between the two phenyl rings are 65.28 (8) and 60.31 (9)° for mol-ecules A and B, respectively. In the crystal, mol-ecules are linked by weak C-H⋯O inter-actions, resulting in a three-dimensional network. ...[more]

PMID: 24454096

Similar Datasets

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

4-Benzyl-8-phenyl-1-thia-4-aza-spiro-[4.5]decan-3-one.

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.

| S-EPMC3344557 | biostudies-literature

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.

| S-EPMC2971766 | 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

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.

| S-EPMC2959234 | biostudies-literature

(1S*,5R*)-9-Phenyl-9-aza-bicyclo-[3.3.1]nonan-3-one.

Project description:In the title compound, C(14)H(17)NO, the piperidinone and piperidine rings both adopt a chair conformation. The chiral crystals were obtained from a racemic reaction product via spontaneous resolution.

| S-EPMC3379287 | biostudies-literature

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

Project description: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.

| S-EPMC4158525 | biostudies-literature

7-Benzyl-2,7-diaza-spiro-[4.4]nonan-1-one.

Project description:In the title compound, C(14)H(18)N(2)O, both the spiro-linked five-membered rings adopt envelope conformations, with a C atom as the flap in one ring and an N atom in the other. The dihedral angle between the two four-atom planes is 80.46?(8)°. In the crystal, the mol-ecules are linked by N-H?O hydrogen bonds to generate C(4) chains propagating in [010].

| S-EPMC3200701 | biostudies-other

1'-Acetyl-3-phenyl-6-oxa-4-thia-2-aza-spiro-[bicyclo-[3.2.0]hept-2-ene-7,3'-indolin]-2'-one.

Project description:In the title indoline compound, C(19)H(14)N(2)O(3)S, the pyrrolidine ring adopts an envelope conformation with the four-connected (spiro) C atom as the flap [displacement = 0.148 (3) Å]. The mean plane formed through the indoline unit is inclined at dihedral angles of 89.92 (16) and 59.54 (12)° with the thia-zole and phenyl rings, respectively; the dihedral angle between the latter rings is 9.55 (14)°. In the crystal, pairs of inter-molecular C-H⋯O hydrogen bonds link neighbouring mol-ecules into inversion dimers, producing R(2) (2)(6) hydrogen-bond ring motifs. Weak inter-molecular C-H⋯π as well as π-π inter-actions [centroid-centroid distance = 3.4041 (15) Å] further consolidate the crystal structure.

| S-EPMC3007916 | biostudies-literature

OmicsDI is part of the ELIXIR infrastructure

OmicsDI is an Elixir interoperability service. Learn more ›

Tweets

OmicsDI Databases

PRIDE
PeptideAtlas
MassIVE
JPOST Repository
Physiome Model Repository

EGA
EVA
ENA
LINCS
PAXDB
Cell Collective

MetaboLights
Metabolomics Workbench
MetabolomeExpress
GNPS
BioModels
FAIRDOMHub

ArrayExpress
dbGaP
ExpressionAtlas
GEO
NODE

Information

Databases
Help
API
Contact us
Code on GitHub
Terms of use
Submit Data