Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Trans-4,5-Dihydr-oxy-1,3-diphenyl-imidazolidine-2-thione.

ABSTRACT: In the title compound, C(15)H(14)N(2)O(2)S, the five-membered ring adopts an envelope conformation and the two hydr-oxy groups lie on opposite sides of the ring. The six-membered rings are oriented at a dihedral angle of 22.63?(3)°. In the crystal structure, inter-molecular O-H?S and O-H?O hydrogen bonds link the mol-ecules into a two-dimensional network.

SUBMITTER: Zhang Z

PROVIDER: S-EPMC2970456 | biostudies-other | 2009 Sep

REPOSITORIES: biostudies-other

ACCESS DATA

Json Xml

Publications

trans-4,5-Dihydr-oxy-1,3-diphenyl-imidazolidine-2-thione.

Zhang Zhenfeng Z Wei Meilin M Wang Jiange J Zhang Guisheng G

Acta crystallographica. Section E, Structure reports online 20090909 Pt 10

In the title compound, C(15)H(14)N(2)O(2)S, the five-membered ring adopts an envelope conformation and the two hydr-oxy groups lie on opposite sides of the ring. The six-membered rings are oriented at a dihedral angle of 22.63 (3)°. In the crystal structure, inter-molecular O-H⋯S and O-H⋯O hydrogen bonds link the mol-ecules into a two-dimensional network. ...[more]

PMID: 21577853

Similar Datasets

trans-4,5-Dihydr-oxy-1,3-bis-(4-methoxy-phen-yl)imidazolidine-2-thione.

Project description:In the title compound, C(17)H(18)N(2)O(4)S, where one of the N-4-methoxy-phenyl fragments is disordered over two sets of sites, the five-membered ring exhibits a nearly half-chair conformation and the two hydroxyl groups lie on opposite sides of the five-membered ring. In the crystal, the mol-ecules are linked into sheets parallel to (100) via O-H?O and O-H?S hydrogen bonds.

| S-EPMC2971362 | biostudies-other

1,3-Dibenzyl-imidazolidine-2-thione.

Project description:In the title compound, C(17)H(18)N(2)S, the imidazolidine ring adopts a twisted conformation. In the crystal, mol-ecules are linked by slipped π-π inter-actions between the benzene rings of neighbouring mol-ecules [centroid-to-centroid distance = 3.903 (2) Å].

| S-EPMC3414971 | biostudies-literature

1,3-Bis(1-phenyl-eth-yl)imidazolidine-2-thione.

Project description:The complete molecule of the title compound, C(19)H(22)N(2)S, is generated by crystallographic twofold symmetry with the C=S group lying on the rotation axis. The imidazolidine ring adopts a flattened twist conformation. The dihedral angle between the asymmetric part of the imidazolidine-2-thione fragment and the benzene ring is 89.49?(17)°.

| S-EPMC3344125 | biostudies-literature

1,3-Bis(1-cyclo-hexyl-eth-yl)imidazolidine-2-thione.

Project description:The complete mol-ecule of the title compound, C(19)H(34)N(2)S, is generated by crystallographic twofold symmetry, with the C=S group lying on the rotation axis. A short C-H⋯S contact occurs in the mol-ecule. The five-membered ring is twisted and the cyclo-hexyl ring adopts a chair conformation. The dihedral angle between the mean plane of the five-membered ring and the basal plane of the cyclo-hexyl ring is 75.32 (13)°.

| S-EPMC3295511 | biostudies-literature

1,3-Bis(4-chloro-phen-yl)-4,5-diethoxy-imidazolidine.

Project description:In the mol-ecule of the title compound, C(19)H(22)Cl(2)N(2)O(2), the two benzene rings are oriented at a dihedral angle of 3.70 (3)°. The five-membered ring adopts an envelope conformation.

| S-EPMC2959530 | biostudies-literature

5-Isopropyl-idene-1,3-dithiolo[4,5-d][1,3]dithiole-2-thione.

Project description:The title compound, C(7)H(6)S(5), contains a 5-yl-idene-1,3-dithiolo[4,5-d][1,3]dithiole-2-thione framework, which is an important synthetic precursor of multi-dimensional organic superconductors and conductors. The mol-ecular framework is planar with an r.m.s. deviation of 0.012 Å for the non-H atoms. In the crystal structure, mol-ecules are linked by short inter-molecular S⋯S inter-actions [3.501 (5) and 3.581 (4) Å], constructing a zigzag mol-ecular tape network along the c axis.

| S-EPMC2977732 | biostudies-literature

4-(1,3-Diphenyl-4,5-dihydro-1H-pyrazol-5-yl)-1,3-diphenyl-1H-pyrazole.

Project description:The title compound, C(30)H(24)N(4), contains two pyrazole rings and four phenyl rings. The pyrazole rings are essentially planar, with maximum deviations of 0.003 (1) and 0.066 (1) Å and make a dihedral angle of 73.43 (6)°. The two pyrazole rings make dihedral angles of 40.08 (6), 9.28 (6), 15.78 (8) and 17.25 (7)° with their attached phenyl rings. In the crystal, there are no significant inter-molecular hydrogen-bonding inter-actions. The crystal structure is stabilized by C-H⋯π inter-actions.

| S-EPMC3247563 | biostudies-literature

1,3-Diphenyl-4,5-dihydro-1H-pyrazol-5-one.

Project description:In the title pyrazolone derivative, C(15)H(12)N(2)O, the five-membered ring is approximately planar (r.m.s. deviation = 0.018 Å), and the N- and C-bound benzene rings are inclined to this plane [dihedral angles = 21.45 (10) and 6.96 (10)°, respectively] and form a dihedral angle of 20.42 (10)° with each other. Supra-molecular layers are formed in the crystal structure via C-H⋯O and C-H⋯N inter-actions, and these are assembled into double layers by C-H⋯π and π-π inter-actions between the pyrazole and C-bound benzene rings [ring centroid-centroid distance = 3.6476 (12) Å]. The double layers stack along the a axis being connected by π-π inter-actions between the N- and C-bound benzene rings [ring centroid-centroid distance = 3.7718 (12) Å].

| S-EPMC3343981 | biostudies-literature

1,3-Dihydr-oxy-9,10-dioxo-9,10-di-hydro-anthracene-2-carbaldehyde.

Project description:The title compound, C(15)H(8)O(5), also known as nordamnacanthal, was isolated from the Malaysian Morinda citrifolia L. The 20 non-H atoms are coplanar. The structure is stabilized by intra-molecular O-H?O hydrogen bonds and inter-molecular O-H?O and C-H?O hydrogen bonds, forming bilayers of mol-ecular tapes with alternating stacking directions along the a axis.

| S-EPMC2960756 | biostudies-literature

5,6-Dihydro-2H-1,3-dithiolo[4,5-b][1,4]dioxine-2-thione.

Project description:The title mol-ecule, C(5)H(4)O(2)S(3), consists of a planar [mean deviation = 0.020?(1)?Å] 1,3-dithiole-2-thione unit with an ethyl-enedi-oxy group in the 4,5-positions. The dioxine ring is in a twist-chair conformation.

| S-EPMC3120295 | 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