Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

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

ABSTRACT: In the title compound, C(16)H(14)ClN(3)O(2), the 2,3-dihydro-1,3,4-oxadiazole ring [maximum deviation = 0.030?(1)?Å] and the pyridine ring [maximum deviation = 0.012?(1)?Å] are inclined slightly to one another, making a dihedral angle of 11.91?(5)°. The chloro-substituted phenyl ring is almost perpendicular to the 2,3-dihydro-1,3,4-oxadiazole and pyridine rings at dihedral angles of 86.86?(5) and 75.26?(5)°, respectively. In the crystal, ?-? [centroid-centroid distance = 3.7311?(6)?Å] and C-H?? inter-actions are observed.

SUBMITTER: Fun HK

PROVIDER: S-EPMC3379458 | biostudies-literature | 2012 Jun

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

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

Fun Hoong-Kun HK Arshad Suhana S Shyma P C PC Kalluraya Balakrishna B Arulmoli T T

Acta crystallographica. Section E, Structure reports online 20120526 Pt 6

In the title compound, C(16)H(14)ClN(3)O(2), the 2,3-dihydro-1,3,4-oxadiazole ring [maximum deviation = 0.030 (1) Å] and the pyridine ring [maximum deviation = 0.012 (1) Å] are inclined slightly to one another, making a dihedral angle of 11.91 (5)°. The chloro-substituted phenyl ring is almost perpendicular to the 2,3-dihydro-1,3,4-oxadiazole and pyridine rings at dihedral angles of 86.86 (5) and 75.26 (5)°, respectively. In the crystal, π-π [centroid-centroid distance = 3.7311 (6) Å] and C-H⋯π ...[more]

PMID: 22719656

Similar Datasets

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

2-[3-Acetyl-5-(2-chloro-3-pyrid-yl)-2-methyl-2,3-dihydro-1,3,4-oxadiazol-2-yl]-4-fluoro-phenyl acetate.

Project description:In the title compound, C(18)H(15)ClFN(3)O(4), the dihedral angle between the substituted pyridine ring and the oxadiazo-line ring is 9.73 (19)° and the acyl group is coplanar with the oxadiazo-line ring [O-C-N-C torsion angle = -2.1 (3)°]. Furthermore, the substituted benzene ring is almost orthogonal with the oxadiazo-line ring, the dihedral angle between them being 87.56 (18)°.

| S-EPMC2977845 | biostudies-literature

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.

Project description: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.

| S-EPMC2959962 | biostudies-literature

N-(4-Chloro-phen-yl)-1-(5-{[(2-phenyl-ethen-yl)sulfon-yl]meth-yl}-1,3,4-oxadiazol-2-yl)methane-sulfonamide.

Project description:In the title compound, C(18)H(16)ClN(3)O(5)S(2), the dihedral angles between the oxadiazole ring and the phenyl and chloro-benzene rings are 23.4?(2) and 45.4?(2)°, respectively. The C-S-N-C and C(ox)-C-S-C (ox = oxadiazole) torsion angles are 89.3?(5) and -69.1?(3)°, respectively. A short intra-molecular C-H?O contact closes an S(6) ring. In the crystal, mol-ecules are linked by N-H?O hydrogen bonds, generating C(10) chains propagating in [001]. The packing is consolidated by C-H?O, C-H?? and very weak aromatic ?-? stacking inter-actions [centroid-centroid separation = 4.085?(2)?Å].

| S-EPMC3470325 | biostudies-literature

6-(4-Chloro-phen-yl)-7-phenyl-2,3-dihydro-1H-pyrrolizine-5-carbaldehyde.

Project description:The 4-chloro-phenyl residue in the title compound, C(20)H(16)ClNO, is oriented at a dihedral angle of 53.6 (3)° towards the phenyl ring and 42.0 (9)° towards the pyrrole ring of the pyrrolizine template. The phenyl ring is oriented at a dihedral angle of 45.4 (4)° towards the pyrrole ring.

| S-EPMC3200804 | biostudies-literature

2-[4-Acetyl-5-(biphenyl-4-yl)-4,5-dihydro-1,3,4-oxadiazol-2-yl]phenyl acetate.

Project description:In the title mol-ecule, C(24)H(20)N(2)O(4), the five-membered oxadiazole ring is nearly planar (r.m.s. deviation = 0.053?Å) and the phenyl ring of the biphenyl unit attached to it forms a dihedral angle of 73.2?(1)°; the other phenyl ring is close to coplanar with the oxadiazole ring [dihedral angle = 6.2?(2)°].

| S-EPMC2984012 | biostudies-literature

N-Phenyl-N-{4-[5-(4-pyrid-yl)-1,3,4-oxadiazol-2-yl]phen-yl}aniline.

Project description:The title compound, C(25)H(18)N(4)O, is a non-planar bipolar ligand containing triphenyl-amine and 1,3,4-oxadiazole units. In the mol-ecule, the benzene ring, the 1,3,4-oxadiazole ring, and the pyridine ring are twisted slightly with respect to each other [dihedral angle between the benzene and 1,3,4-oxadiazole rings = 9.4 (4) and between the 1,3,4-oxadiazole and pyridine rings = 3.0 (4)°]. Moreover, the dihedral angles between the two phenyl rings and the benzene ring are 88.2 (4) and 113.3 (4)°, and that between the two phenyl rings is 67.9 (4)°. The closest distances between the pyridine ring and the 1,3,4-oxadiazole and benzene rings in adjacent mol-ecules are 3.316 and 3.363 Å, respectively, indicating the existence of π-π inter-actions.

| S-EPMC2915300 | biostudies-literature

1-(4-Chloro-phen-yl)-2-phenyl-2-(3-phenyl-1-isoquinolylsulfan-yl)ethanone.

Project description:The title compound, C(29)H(20)ClNOS, is a 1-substituted-3-phenyl-isoquinoline that crystallizes with four independent mol-ecules in the asymmtric unit. The four mol-ecules have similar C-S-C angles. The most noteworthy differences between the mol-ecules relate to the inclination of the 3-phenyl subsituent with respect to the isoquinoline fused-ring [dihedral angles of 21.2?(1), 25.6?(2), 34.3?(1) and 36.5?(2)°].

| S-EPMC2971218 | biostudies-literature

2-[(4-Chloro-phen-yl)imino]-1,2-di-phenyl-ethanone.

Project description:The title Schiff base, C20H14ClNO, obtained from the reaction of 4-chloro aniline with benzil, has an approximate T shape. The dihedral angle between the phenyl rings of the benzil unit is 74.14 (15)°. The extended structure features C-H⋯O hydrogen bonds.

| S-EPMC9912312 | biostudies-literature

4-Chloro-N-[3-methyl-1-(5-thioxo-4,5-dihydro-1,3,4-oxadiazol-2-yl)but-yl]benzamide.

Project description:In the title compound, C(14)H(16)ClN(3)O(2)S, the dihedral angle between the 4-chloro-phenyl and 1,3,4-oxadiazole rings is 67.1?(1)° and the orientation of the amide N-H and C=O bonds is anti. In the crystal, mol-ecules are linked by N-H?O and N-H?S hydrogen bonds.

| S-EPMC2979360 | 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