Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Meso-1-{[2-(Propyl-1-sulfin-yl)eth-yl]sulfin-yl}propane.

ABSTRACT: The title mol-ecule, C(8)H(18)O(2)S(2), is disposed about a centre of inversion implying an anti-disposition of the sulfinyl-O atoms; the terminal n-propyl group has an extended conformation. The crystal packing is dominated by C-H?O inter-actions, which lead to the formation of supra-molecular arrays in the bc plane.

SUBMITTER: Wardell SM

PROVIDER: S-EPMC2983592 | biostudies-literature | 2010

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

meso-1-{[2-(Propyl-1-sulfin-yl)eth-yl]sulfin-yl}propane.

Wardell Solange M S V SM Wardell James L JL de Lima Geraldo M GM Tiekink Edward R T ER

Acta crystallographica. Section E, Structure reports online 20100217 Pt 3

The title mol-ecule, C(8)H(18)O(2)S(2), is disposed about a centre of inversion implying an anti-disposition of the sulfinyl-O atoms; the terminal n-propyl group has an extended conformation. The crystal packing is dominated by C-H⋯O inter-actions, which lead to the formation of supra-molecular arrays in the bc plane. ...[more]

PMID: 21580401

Similar Datasets

Dibromido{2-[1-(cyclo-propyl-imino)-eth-yl]pyridine}-zinc(II).

Project description:In the title compound, [ZnBr(2)(C(10)H(12)N(2))], the Zn(2+) ion is coordinated by the N,N'-bidentate Schiff base ligand and two bromode ions in a distorted tetra-hedral arrangement. The dihedral angle between the pyridine and the cyclo-propyl rings is 95.4?(8)°.

| S-EPMC3007484 | biostudies-literature

1-[1-(Hydroxy-imino)eth-yl]-N-(2-methoxy-phen-yl)cyclo-propane-carboxamide.

Project description:The title compound, C(13)H(16)N(2)O(3), adopts an E configuration with respect to the C=N bond and an intra-molecular N-H?N hydrogen bond results in the formation of a six-membered ring. In the crystal, inter-molecular O-H?O hydrogen bonds link the mol-ecules into a chain propagating along the b axis. Very weak ?-? stacking inter-actions [centroid-centroid distance = 4.18?(2)?Å] may further consolidate the packing, forming a two-dimensional supra-molecular network.

| S-EPMC2969475 | biostudies-literature

4-Methyl-N-(2-phenyl-eth-yl)-2-propyl-1H-benzimidazole-6-carboxamide.

Project description:There are two independent mol-ecules in the asymmetric unit of the title compound, C(20)H(23)N(3)O, in which the dihedral angles between the phenyl ring of the phenyl-ethyl-amino group and the benzimidazole system are 73.98?(15) and 15.93?(16)°. The crystal packing features N-H?O and N-H?N hydrogen bonds.

| S-EPMC3470186 | biostudies-literature

Crystal structure of [2-(tri-ethyl-ammonio)-eth-yl][(2,4,6-triiso-propyl-phen-yl)sulfon-yl]amide tetra-hydrate.

Project description:The zwitterionic title compound, C23H42N2O2S·4H2O, crystallized as a tetrahydrate from a solution of N-[(2,4,6-triiso-propyl-phen-yl)sulfon-yl]aziridine in tri-ethyl-amine, diethyl ether and pentane in the presence of moist air. It is formed by a nucleophillic ring-opening that is assumed to be reversible. The mol-ecular structure shows a major disorder of the triiso-propyl-phenyl group over two equally occupied locations. An inter-esting feature is the uncommon hydrate structure, exhibiting a tape-like motif which can be classified as a transition of the one-dimensional T4(2)6(2) motif into the two-dimensional L4(6)5(7)6(8) motif.

| S-EPMC4420053 | biostudies-literature

4-[2-(4-Hy-droxy-phen-yl)eth-yl]-3-propyl-1H-1,2,4-triazol-5(4H)-one.

Project description:The asymmetric unit of the title compound, C(13)H(17)N(3)O(2), contains eight crystallographically independent mol-ecules. The planes of the benzene and triazole rings in the eight mol-ecules make dihedral angles of 5.53?(13), 9.33?(13), 19.28?(11), 17.36?(8), 12.84?(12), 8.03?(8), 19.97?(11), and 7.98?(8)°. The eight mol-ecules in the asymmetric unit are linked by inter-molecular O-H?O and N-H?O hydrogen bonds, forming a three-dimensional network.

| S-EPMC3379251 | biostudies-literature

2-(2-Methyl-6-phenyl-1-propyl-1,4-dihydro-pyridin-4-yl-idene)propane-dinitrile.

Project description:In the title compound, C(18)H(17)N(3), the dihedral angle between the dihydropyridine and phenyl rings is 72.57?(5)° and that between the dihydropyridine ring and malononitrile plane is 5.19?(20)°. The C-C bond lengths in the pyridine ring are considerably shorter than those of normal single bonds, indicating that electrons on the dihydropyridine ring, including the non-bonding electrons of the N atom, are delocalized on the ring.

| S-EPMC3052154 | biostudies-literature

Ethyl 1-(2-hy-droxy-eth-yl)-2-propyl-1H-benzimidazole-5-carboxyl-ate.

Project description:In the title compound, C(15)H(20)N(2)O(3), the benzimidazole ring is essentially planar, with a maximum deviation from the mean plane of 0.012?(1)?Å. The crystal structure is stabilized by inter-molecular O-H?N hydrogen bonds, forming centrosymmetric dimers, which are connected in the [100] direction through weak C-H?O contacts.

| S-EPMC3201285 | biostudies-literature

(R)-N-[(R)-2,2-Di-chloro-1-phenyl-2-(phenyl-sulfon-yl)eth-yl]-2-methyl-propane-2-sulfinamide.

Project description:The title mol-ecule, C18H21Cl2NO3S2, contains one chiral carbon center and the absolute sterochemistry has been confirmed as as R. An intra-molecular N-H?O hydrogen bond occurs and the dihedral angle between the benzene rings is 64.5?(1)°. In the crystal, the mol-ecules are linked by weak C-H?O hydrogen bonds, forming a zigzag chain structure extending along the c-axis direction.

| S-EPMC3998287 | biostudies-literature

2-(Methyl-sulfin-yl)benzamide.

Project description:In the crystal of the title compound, C(8)H(9)NO(2)S, synthesized by the oxidation of 2-(methyl-sulfan-yl)benzamide using NaOCl with 2,2,6,6-tetra-methyl-piperidyl-1-oxy (TEMPO) as the catalyst, mol-ecules are linked via inter-molecular N-H?O(amide) hydrogen bonds, forming centrosymmetric amide-amide dimers which are extended into a two-dimensional lamellar framework parallel to (100) through amide-sulfinyl N-H?O hydrogen bonds. The benzene ring forms a dihedral angle of 25.6?(2)° with the amide group.

| S-EPMC3011674 | biostudies-literature

{2-[1-(2-Amino-2-methyl-propyl-imino)eth-yl]phenolato-?N,N',O}dioxidovanadium(V).

Project description:In the crystal structure of the title compound, [V(C(12)H(17)N(2)O)O(2)], the vanadium(V) centre is five-coordinate in a distorted square-pyramidal environment. The three atoms of the deprotonated Schiff base and a double-bonded O atom comprise the basal plane. N-H?O hydrogen bonds lead to a zigzag chain structure parallel to [001].

| S-EPMC2968252 | biostudies-literature

OmicsDI is part of the ELIXIR infrastructure

OmicsDI is an Elixir interoperability service. Learn more ›

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