Browse
Submit Data
Databases
API
Help

Dataset Information

12 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

1,3-Bis{[5-(pyridin-2-yl)-1,3,4-oxadiazol-2-yl]sulfan-yl}propan-2-one.

ABSTRACT: In the distorted W-shaped mol-ecule of the title compound, C(17)H(12)N(6)O(3)S(2), a twofold axis passes through the carbonyl group. The mol-ecules stack in the crystal through ?-? inter-actions [centroid-centroid distance = 3.883?Å] and weak C-H?N hydrogen-bonding inter-actions, forming a three-dimensional architecture.

SUBMITTER: Xia CH

PROVIDER: S-EPMC3051430 | biostudies-literature | 2011 Jan

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

1,3-Bis{[5-(pyridin-2-yl)-1,3,4-oxadiazol-2-yl]sulfan-yl}propan-2-one.

Xia Chao-Hui CH Mao Chun-Bo CB Wu Ben-Lai BL

Acta crystallographica. Section E, Structure reports online 20110115 Pt 2

In the distorted W-shaped mol-ecule of the title compound, C(17)H(12)N(6)O(3)S(2), a twofold axis passes through the carbonyl group. The mol-ecules stack in the crystal through π-π inter-actions [centroid-centroid distance = 3.883 Å] and weak C-H⋯N hydrogen-bonding inter-actions, forming a three-dimensional architecture. ...[more]

PMID: 21523084

Similar Datasets

1,4-Bis{[5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl]sulfan-yl}butane.

Project description:In the centrosymmetric title compound, C(18)H(16)N(6)O(2)S(2), the 1,3,4-oxadiazole and the attached pyridinyl ring are twisted by 5.3?(3)°.

| S-EPMC3052088 | biostudies-literature

Tetra-aqua-bis-(2-{[5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl]sulfan-yl}acetato)-cobalt(II) monohydrate.

Project description:In the title compound, [Co(C(9)H(6)N(3)O(3)S)(2)(H(2)O)(4)]·H(2)O, the two 2-{[5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl]sulfan-yl}acetate ligands are monodentate. One coordinates the metal atom via the pyridyl N atom whereas the other coordinates via the carboxyl-ate O atom. The Co(II) atom adopts a slightly distorted octa-hedral coordination geometry with four O atoms of the coordinated water mol-ecules located in the equatorial plane and the N and O atoms of the two POA ligands in axial positions. In the crystal, the components are connected through O-H?O and O-H?N hydrogen bonds into a three-dimensional framework.

| S-EPMC3238654 | biostudies-literature

catena-Poly[[diaqua-nickel(II)]-bis-(μ-2-{[5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl]sulfan-yl}acetato)].

Project description:In the title compound, [Ni(C(9)H(6)N(3)O(3)S)(2)(H(2)O)(2)](n), the Ni(II) atom, located on an inversion center, is ligated in an octa-hedral geometry by two carboxyl-ate O atoms from two 2-{[5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl]sulfan-yl}acetate (L) ligands and two O atoms from water mol-ecules in the equatorial plane, and two pyridine N atoms from other two L ligands at the apical sites. Two L ligands bridge pairs of metal atoms in an anti-parallel manner, forming centrosymmetric dinuclear quasi-recta-ngular units which are linked into infinite double-stranded chains parallel to [100]. O-H⋯O hydrogen bonds between the coordinating water mol-ecules and the carboxyl-ate groups of the L ligand as well as interchain S⋯N inter-actions [2.726 (2)-3.363 (2) Å] lead to the formation of a layer structure parallel to (001).

| S-EPMC3379099 | biostudies-literature

Tetra-aqua-bis-(2-{[5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl]sulfan-yl}acetato)-iron(II).

Project description:In the title compound, [Fe(C(9)H(6)N(3)O(3)S)(2)(H(2)O)(4)] or [Fe(POA)(2)(H(2)O)(4)], the Fe(II) atom is located on an inversion center and is ligated by four O atoms of coordinated water mol-ecules in the equatorial plane while two POA ligands acting as monodentate ligands occupy the axial positions through their pyridyl N atoms, completing a slightly distorted octa-hedral coordination geometry. A three-dimensional supra-molecular network is formed by multiple O-H?O hydrogen-bonding inter-actions between the coordinated water donors and the uncoordinated carboxyl acceptors.

| S-EPMC3201331 | biostudies-other

4-[5-(Pyridin-4-yl)-1,3,4-oxadiazol-2-yl]pyridinium benzoate.

Project description:In the title compound, C(12)H(9)N(4)O(+)·C(7)H(5)O(2) (-), ?-? stacking inter-actions [centroid-centroid distance = 3.6275?(14) ?Å] stabilize the crystal structure. The dihedral angles between the central ring and the terminal rings are 3.27?(12) and 10.30?(13)°.

| S-EPMC3051668 | biostudies-literature

2,3-Dibromo-1,3-bis-(4-chloro-phen-yl)propan-1-one.

Project description:In the title compound, C(15)H(10)Br(2)Cl(2)O, the terminal benzene rings make a dihedral angle of 31.1?(2)° with each other. In the crystal, mol-ecules are stacked along the a axis and consolidated by C-H?? inter-actions. Short Cl?Cl [3.1140?(17)?Å] and Br?Cl [3.4565?(13)?Å] contacts are observed.

| S-EPMC3011542 | biostudies-literature

2,3-Dibromo-1,3-bis-(4-fluoro-phen-yl)propan-1-one.

Project description:In the title compound, C(15)H(10)Br(2)F(2)O, the dihedral angle between the two 3-fluoro-substituted benzene rings is 5.7?(5)°. The two bromine substituents on the chalcone moiety are close to anti as the Br-C-C-Br torsion angle is 176.9?(7)°. Weak C-Br?? inter-actions may contribute to the crystal stability.

| S-EPMC3007578 | biostudies-literature

1,3-Bis(propan-2-yl)naphthalene.

Project description:In the title compound, C(16)H(20), one of the isopropyl groups shows almost equal displacements [1.252 (1) and -1.270 (1) Å] of its methyl-C atoms from the mean plane of the naphthalene ring system, while the other shows asymmetric displacements [1.586 (2) and -0.315 (1) Å]. In the crystal, the mol-ecules are linked into sheets lying in the ab plane by three C-H⋯π contacts, two involving donors belonging to the isopropyl groups and the third a donor atom from the naphthalene ring system. The different orientations of the isopropyl groups might be attributed to the fact that the C-H⋯π inter-action involving one of them is enhanced by the C-H⋯π inter-action involving the aromatic ring.

| S-EPMC3238981 | biostudies-literature

Bis(?-4,4;6,6-bis-(biphenyl-2,2'-diyldi-oxy)-2,2-bis-{2-[5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl]phen-oxy}cyclo-triphosphazene)di-?-chlorido-bis-[chlorido-copper(II)].

Project description:In the crystal of the title compound, [Cu(2)Cl(4)(C(50)H(32)N(9)O(8)P(3))(2)], the binuclear mol-ecule is located across an inversion center. Each Cu(2+) cation is coordinated by two pyridine N atoms from symmetry-related 4,4;6,6-bis-(biphenyl-2,2'-diyldi-oxy)-2,2-bis-{2-[5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl]phen-oxy}cyclo-triphosphazene (L) ligands, a pair of bridging Cl(-) anions and a terminal Cl(-) anion, forming a distorted CuCl(3)N(2) square-pyramidal geometry. Weak intra-molecular C-H?O and inter-molecular C-H?N inter-actions occur in the crystal.

| S-EPMC3344371 | biostudies-literature

Synthesis, liquid crystalline behaviour and structure-property relationships of 1,3-bis(5-substituted-1,3,4-oxadiazol-2-yl)benzenes.

Project description:Two series containing 1,3-bis(1,3,4-oxadiazol-2-yl)benzene as a rigid core (RC) and alkyl or perfluoroalkyl as terminal chains were synthesized and characterized. Liquid crystal properties of the synthesized compounds have been investigated by polarizing optical microscopy, differential scanning calorimetry and X-ray diffraction techniques. Conformation effects of the synthesized products on the dipole moments were also investigated.

| S-EPMC7006484 | 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