Browse
Submit Data
Databases
API
Help

Dataset Information

21 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

2,5-Bis[2-(2-methoxy-ethoxy)phen-yl]-1,3,4-oxadiazole.

ABSTRACT: In the title compound, C(20)H(22)N(2)O(5), the central 1,3,4-oxadiazole ring is essentially planar [r.m.s. deviation from the best plane of 0.0011?Å] and makes dihedral angles of 4.10?(3) and 13.32?(4)° with the two benzene rings. In the crystal structure, the packing is stabilized by weak non-classical inter-molecular C-H?N hydrogen bonds, which link the mol-ecules into an extended network.

SUBMITTER: Tian X

PROVIDER: S-EPMC2977367 | biostudies-literature | 2009 Jul

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

2,5-Bis[2-(2-methoxy-ethoxy)phen-yl]-1,3,4-oxadiazole.

Tian Xia X Zhen Xiao-Li XL Han Jian-Rong JR Ming Chang-Xin CX Liu Shou-Xin SX

Acta crystallographica. Section E, Structure reports online 20090729 Pt 8

In the title compound, C(20)H(22)N(2)O(5), the central 1,3,4-oxadiazole ring is essentially planar [r.m.s. deviation from the best plane of 0.0011 Å] and makes dihedral angles of 4.10 (3) and 13.32 (4)° with the two benzene rings. In the crystal structure, the packing is stabilized by weak non-classical inter-molecular C-H⋯N hydrogen bonds, which link the mol-ecules into an extended network. ...[more]

PMID: 21583681

Similar Datasets

2,5-Bis(4-meth-oxy-phen-yl)-1,3,4-oxadiazole.

Project description:In the title compound, C(16)H(14)N(2)O(3), the essentially planar 1,3,4-oxadiazole ring [maximum deviation = 0.0021?(11)?Å] is inclined at dihedral angles of 8.06?(6) and 11.21?(6)° with respect to the two benzene rings; the dihedral angle between the latter rings is 11.66?(5)°. In the crystal, short inter-molecular C?O inter-actions [2.9968?(15)?Å] connect adjacent mol-ecules into chains propagating in [203]. The crystal structure is further stabilized by weak inter-molecular C-H?? inter-actions.

| S-EPMC3011497 | biostudies-literature

Bis{?-2,5-bis-[4-(2-pyridylmethyl-amino)phen-yl]-1,3,4-oxadiazole}bis-[dichlorido-mercury(II)].

Project description:In the title centrosymmetric compound, [Hg(2)Cl(4)(C(26)H(22)N(6)O)(2)], each Hg(II) center adopts a distorted HgN(3)Cl(2) trigonal bipyramidal coordination geometry, formed by two pyridine N atoms, one imine N atom and two chloride anions. Within the organic ligand, the oxadiazole ring is nearly coplanar with the two benzene rings [dihedral angles = 5.9?(4) and 6.5?(4)°] and nearly perpendicular to the two pyridine rings with the same dihedral angle of 77.4?(4)°. The two organic ligands bridge two Hg(II) ions to form the macrocyclic complex. Inter-molecular N-H?Cl and N-H?N hydrogen bonding helps to stabilize the crystal structure.

| S-EPMC2961020 | biostudies-literature

2,5-Bis(5-methyl-pyrazin-2-yl)-1,3,4-oxadiazole.

Project description:In the title mol-ecule, C(12)H(10)N(6)O, the dihedral angle between the two pyrazine rings [planar to within 0.009?(3) and 0.018?(3)?Å] is 5.62?(15)°. They deviate from the central oxadiazole ring [planar to within 0.005?(3)?Å] by 1.52?(16) and 5.55?(17)°, respectively. In the crystal, C-H?N inter-actions involving the pyrazine rings connect mol-ecules to form zigzag supramolecular chains propagating in [010].

| S-EPMC3120570 | biostudies-literature

2,5-Bis[2-({bis-[3-(dimethyl-aza-nium-yl)prop-yl]aza-nium-yl}meth-yl)phen-yl]-1,3,4-oxadiazole hexa-kis-(perchlorate) sesquihydrate.

Project description:In the title hydrated salt, C36H66N8O(6+)·6ClO4(-)·1.5H2O, the asymmetric unit consists of a hexa-protonated [H6L](6+) cation, five perchlorate anions in general positions, two on twofold rotation axes (one of which is disordered), and two water mol-ecules of crystallization in general positions, one of them disordered around a twofold crystallographic axis. In the [H6L](6+) cation, two strong intra-molecular N-H?N hydrogen bonds occur, involving the N atoms of the oxadiazole ring as acceptors and the closest NH(+) groups of each dipropyl-enetriamine unit. In the crystal, the [H6L](6+) cations form channels along the a-axis direction, in which the perchlorate counter-ions and the water mol-ecules are lodged. The crystal packing features a network of N-H?O and O-H?O hydrogen bonds involving the NH(+) groups of the [H6L](6+) cation, the perchlorate anions and the water mol-ecules.

| S-EPMC3589030 | biostudies-literature

catena-Poly[[dianilinedichloridocopper(II)]-?(2)-2,5-bis-(4-pyrid-yl)-1,3,4-oxadiazole].

Project description:In the title compound, [CuCl(2)(C(6)H(7)N)(2)(C(12)H(8)N(4)O)](n), the Cu atom, located on an inversion center, is coordinated by four N atoms from two aniline ligands and two 2,5-bis-(4-pyrid-yl)-1,3,4-oxadiazole ligands. Two Cl atoms lying above and below the plane formed by these four N atoms inter-act weakly with the Cu atom [Cu-Cl = 2.7870?(7)?Å]. The trans 2,5-bis-(4-pyrid-yl)-1,3,4-oxadiazole ligands act as bridging ligands, linking adjacent Cu atoms and forming a one-dimensional coordination polymer. Two anilines coordinate with each Cu atom as terminal groups. The structure contains two classical N-H?Cl and two non-classical C-H?Cl hydrogen bonds.

| S-EPMC2980127 | biostudies-literature

N,N'-Dibenzyl-2,2'-[(1,3,4-oxadiazole-2,5-di-yl)bis-(o-phenyl-eneoxy)]diacet-amide.

Project description:The compound, C(32)H(28)N(4)O(5), which was synthesized by the reaction of 2,5-bis-(2-hydroxy-lphen-yl)-1,3,4-oxadiazole with N-benzyl-2-chloro-acetamide, lies on a twofold rotation axis which passes through the mid-point of the N-N bond and the O atom of the oxadiazole unit. The phenyl-ene and oxadiazole rings are almost coplanar [dihedral angle 1.67?(5)°]. The structure is stabilized by intra-molecular N-H?O and N-H?N hydrogen bonds.

| S-EPMC2959583 | biostudies-literature

Bis{N-[5-(4-methoxy-phen-yl)-1,3,4-oxa-diazol-2-yl]ethanimidamidato}copper(II).

Project description:The title compound, [Cu(C(11)H(11)N(4)O(2))(2)], was prepared by solvothermal synthesis using 2-amino-5-(4-methoxy-phen-yl)-1,3,4-oxadiazole and copper sulfate penta-hydrate in an acetonitrile solution. The Cu(II) atom lies on an inversion center and is four-coordinated in a slightly distorted square-planar geometry by four N atoms of the ligands obtained from the formation of a bond between the amine N atom of the oxadiazole mol-ecule and the nitrile C atom of the solvent. In the crystal structure an inter-molecular N-H?N hydrogen bond links inversion-related mol-ecules.

| S-EPMC2984065 | biostudies-literature

1-(4-Ethoxy-benzo-yl)-4-(4-methoxy-phen-yl)thiosemicarbazide.

Project description:The title compound, C(17)H(19)N(3)O(3)S, crystallizes with two closely similar independent mol-ecules related by a pseudotranslation of c/2. Each mol-ecule consists of three approximately planar moieties centred on the N(2)CS group and the two ring systems. The packing involves classical H bonds of the form N(amide)-H?S and N(hydrazine)-H?OC, together with various weak hydrogen bonds and N(hydrazine)-H?? inter-actions. The overall packing is three-dimensional, but layer substructures parallel to the xz plane can be readily identified. Each mol-ecule forms a topologically equivalent set of hydrogen-bond inter-actions.

| S-EPMC2971009 | biostudies-literature

5,5'-Bis(naphthalen-2-yl)-2,2'-bi(1,3,4-oxadiazole).

Project description:The title mol-ecule, C(24)H(14)N(4)O(2), lies on an inversion centre and the asymmetric unit containg one half-mol-ecule. The naphthalene ring systems are twisted slightly with respect to the oxadiazole rings, making a dihedral angle of 1.36?(6)°. These mol-ecules are ?-stacked along the crystallographic a axis, with an inter-planar distance of 3.337?(1)?Å. Adjacent mol-ecules are slipped from the 'ideal' cofacial ?-stack in both the long and short mol-ecular axis (the long mol-ecular axis is defined as the line through the naphthalene C atom in the 6-position and the mol-ecular center, the short mol-ecular axis is in the mol-ecular plane perpendicular to it). The slip distance along the long mol-ecular axis (S(1)) is 7.064?(1)?Å, nearly a two-ring-length displacement. The side slip (S(2), along the short mol-ecular axis) is 1.159?(8)?Å.

| S-EPMC3239005 | biostudies-literature

2,3-Bis(4-ethoxy-phen-yl)quinoxaline.

Project description:The title compound, C(24)H(22)N(2)O(2), was prepared by condensation of 1,2-bis-(4-ethoxy-phen-yl)ethane-1,2-dione and 1,2-diamino-benzene. The asymmetric unit contains one half-mol-ecule, close to a twofold axis. The plane of the quinoxaline ring is twisted with respect to the planes of the two ethoxy-phenyl ring systems, exhibiting dihedral angles of 39.95?(9)°. The crystal packing is dominated by weak C-H?? inter-actions. No classical hydrogen bonds or stacking inter-actions are observed.

| S-EPMC2980160 | 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