Browse
Submit Data
Databases
API
Help

Dataset Information

31 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

2-(4-Chloro-phen-yl)-5-{3,4-dibut-oxy-5-[5-(4-chloro-phen-yl)-1,3,4-oxadiazol-2-yl]thio-phen-2-yl}-1,3,4-oxadiazole.

ABSTRACT: In the title compound, C(28)H(26)Cl(2)N(4)O(4)S, the dihedral angles between the two chloro-phenyl rings and the two oxadiazol rings are 10.51 (4)° and 13.55 (3)°, respectively. The thio-phene ring is oriented at dihedral angles of 5.59 (4)°, 8.33 (4)° and 4.41 (4)°, 11.05 (3)°, respectively, with respect to the two oxadiazol and the two chloro-phenyl rings. The intra-molecular C-H⋯O hydrogen bond results in the formation of a five-membered ring. In the crystal structure, π-π contacts between the oxadiazol rings, the chloro-phenyl rings and the chloro-phenyl and oxadiazol rings [centroid-centroid distances = 3.428 (3) Å, 3.750 (3) Å and 3.768 (3) Å, respectively] are present.

SUBMITTER: Li HL

PROVIDER: S-EPMC2959962 | biostudies-literature |

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Similar Datasets

2-{3,4-Dibut-oxy-5-[5-(3-methyl-phen-yl)-1,3,4-oxadiazol-2-yl]thio-phen-2-yl}-5-(3-methyl-phen-yl)-1,3,4-oxadiazole.

Project description:In the title compound, C(30)H(32)N(4)O(4)S, the dihedral angles between the central thio-phene ring and the pendant oxadiazole rings are 10.1?(2) and 6.8?(3)°. The dihedral angles between each oxadiazole ring and its adjacent benzene ring are 6.8?(2) and 5.3?(3)°.

| S-EPMC2968503 | biostudies-literature

2-[3,4-Dibut-oxy-5-(5-phenyl-1,3,4-oxadiazol-2-yl)-2-thien-yl]-5-phenyl-1,3,4-oxadiazole.

Project description:In the title compound, C(28)H(28)N(4)O(4)S, the dihedral angles between the central thio-phene ring and its pendant oxadiazole rings are 1.2 (3) and 9.8 (3)°. The dihedral angles between the oxadiazole and phenyl rings are 2.9 (3) and 1.8 (3)°. Some short intra-molecular C-H⋯O contacts occur.

| S-EPMC2962053 | biostudies-literature

2-(4-tert-Butyl-phen-yl)-5-{3,4-dibutoxy-5-[5-(4-tert-butyl-phen-yl)-1,3,4-oxadiazol-2-yl]-2-thienyl}-1,3,4-oxadiazole.

Project description:In the title compound, C(36)H(44)N(4)O(4)S, the dihedral angles between the central thio-phene ring and the pendent oxadiazole rings are 12.7 (2) and 13.7 (2)°, and the dihedral angles between the oxadiazole rings and their adjacent benzene rings are 6.1 (2) and 17.5 (2)°. An intra-molecular C-H⋯O inter-action may help to establish the conformation.

| S-EPMC2959615 | biostudies-literature

2-Chloro-5-({[5-(4-meth-oxy-phen-yl)-1,3,4-oxadiazol-2-yl]-sulfanyl}-meth-yl)pyridine.

Project description:In the title compound, C(15)H(12)ClN(3)O(2)S, the central oxadiazole ring forms dihedral angles of 7.72 (14) and 69.86 (12)° with the benzene and pyridine rings, respectively. The crystal packing is governed only by van der Waals inter-actions.

| S-EPMC3239114 | biostudies-literature

5-[1-(3,4-Dichloro-phen-oxy)eth-yl]-1,3,4-oxadiazole-2(3H)-thione hemihydrate.

Project description:In the title compound, C(10)H(8)Cl(2)N(2)O(2)S·0.5H(2)O, the atoms in the oxadiazole ring are essentially coplanar (r.m.s. deviation 0.010?Å). The crystal structure is stabilized by inter-molecular N-H?O hydrogen bonds involving the water mol-ecule, which is situated on an a twofold rotation axis, and two organic mol-ecules, leading to a thione tautomer in the solid state. The C atom attached to the oxadiazole ring adopts a typical sp(3) hybridization. The dihedral angle between the mean plane of the benzene ring of the dichloro-phenyl group and the mean plane of the oxadiazole ring is 74.18?(4)°. The crystal structure is stabilized by intermolecular N-H?O and O-H?S hydrogen bonds.

| S-EPMC2970152 | biostudies-literature

7-(4-Chloro-benzyl-idene)-3-[(4-chloro-phen-oxy)meth-yl]-6-(4-nitro-thio-phen-2-yl)-7H-1,2,4-triazolo[3,4-b][1,3,4]thia-diazine.

Project description:In the title compound, C(22)H(13)Cl(2)N(5)O(3)S(2), the thia-diazine ring adopts a half-chair conformation. The benzene rings of the chloro-phen-oxy and chloro-benzyl groups and the thio-phene ring form dihedral angles of 35.6?(1), 80.7?(1) and 14.2?(1)°, respectively, with the triazole ring. In the crystal, mol-ecules are connected into sheets parallel to ([Formula: see text]11) by inter-molecular C-H?N and C-H?Cl hydrogen bonds. In addition, ?-? stacking inter-actions are observed between thio-phene and triazole rings, and between inversion-related triazole rings [centroid-centroid distances = 3.5975?(11) and 3.4324?(11)?Å].

| S-EPMC3089255 | biostudies-literature

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⋯π inter-actions.

| S-EPMC3011497 | biostudies-literature

1-[2-(3,4-Dichloro-phen-yl)-5-(3,4,5-trimethoxy-phen-yl)-2,3-dihydro-1,3,4-oxadiazol-3-yl]ethanone.

Project description:The title compound, C(19)H(18)Cl(2)N(2)O(5), was synthesized by the reaction of N'-(3,4-dichloro-benzyl-idene)-3,4,5-trimethoxy-benzo-hydrazide and acetic anhydride. The oxadiazole ring makes dihedral angles of 82.82 (7) and 9.92 (7)° with the 3,4-dichloro-benzene and the 3,4,5-trimethoxy-benzene ring planes, respectively. The crystal structure is stabilized by inter-molecular C-H⋯ O and C-H⋯ N hydrogen bonds. Intra-molecular C-H⋯O and C-H⋯N hydrogen bonds are also present.

| S-EPMC2962074 | biostudies-literature

(3,4-Dimeth-oxy-phen-yl)[2-(thio-phen-2-ylcarbon-yl)phen-yl]methanone.

Project description:In the title compound, C(20)H(16)O(4)S, the thiophene ring makes dihedral angles of 72.9?(2) and 60.5?(2)°, respectively, with the dimethoxy benzene and phenyl rings. In the crystal, C-H?O hydrogen bonds link the mol-ecules into a C(9) chain along the b axis. The S and C atoms of the thio-phene ring are disordered over two sets of sites [site occupancies = 0.675?(3) and 0.325?(3)]. A short inter-molecular S?O contact [3.084?(2)?Å] is observed in the crystal structure, which also features C-H?? inter-actions.

| S-EPMC3470204 | biostudies-literature

5-(3,4,5-Trimeth-oxy-phen-yl)-1,3,4-oxadiazole-2(3H)-thione.

Project description:The two rings in the title compound, C(11)H(12)N(2)O(4)S, are roughly coplanar [dihedral angle = 6.77 (8)°]. Whereas the two outer methyl groups of the three meth-oxy groups are almost coplanar with the aromatic ring to which they are attached [C-C-O-C torsion angles = 8.5 (3) and -8.3 (3)°], the methyl group of the central meth-oxy substituent is not [C-C-C-C = -78.4 (3)°]. The crystal packing is stabilized by N-H⋯O hydrogen bonding.

| S-EPMC3007562 | 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