Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

5-(2,4-Dichloro-phen-yl)-3-(4-nitro-phen-yl)-1,2,4-oxadiazole.

ABSTRACT: In the title compound, C(14)H(7)Cl(2)N(3)O(3), the dichloro-phenyl and nitro-phenyl rings form dihedral angles of 5.4?(2) and 4.0?(2)°, respectively, with the oxadiazole ring. The nitro group is twisted out of the attached benzene ring by a dihedral angle of 10.4?(3)°. In the crystal, mol-ecules are linked into a chain along the a axis by C-H?N hydrogen bonds.

SUBMITTER: Fun HK

PROVIDER: S-EPMC2979016 | biostudies-literature | 2010 Apr

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

5-(2,4-Dichloro-phen-yl)-3-(4-nitro-phen-yl)-1,2,4-oxadiazole.

Fun Hoong-Kun HK Rosli Mohd Mustaqim MM Rai Sankappa S Isloor Arun M AM Shetty Prakash P

Acta crystallographica. Section E, Structure reports online 20100428 Pt 5

In the title compound, C(14)H(7)Cl(2)N(3)O(3), the dichloro-phenyl and nitro-phenyl rings form dihedral angles of 5.4 (2) and 4.0 (2)°, respectively, with the oxadiazole ring. The nitro group is twisted out of the attached benzene ring by a dihedral angle of 10.4 (3)°. In the crystal, mol-ecules are linked into a chain along the a axis by C-H⋯N hydrogen bonds. ...[more]

PMID: 21579231

Similar Datasets

3-(2,4-Dichloro-phen-yl)-5-methyl-1,2,4-oxadiazole.

Project description:In the title compound, C(9)H(6)Cl(2)N(2)O, the dihedral angle between the oxadiazole and benzene rings is 1.7 (2)°. In the crystal, the mol-ecules are linked into chains along the b axis by short inter-molecular Cl⋯O contacts [3.019 (3) Å].

| S-EPMC2983957 | biostudies-literature

3-(2,4-Dichloro-phen-yl)-5-phenyl-1,2,4-oxadiazole.

Project description:In the title compound, C(14)H(8)Cl(2)N(2)O, the dihedral angles between the plane of the oxadiazole ring and those of the benzene rings are 2.3?(1) and 9.5?(1)°. In the crystal, mol-ecules are linked into chains along the c axis by C-H?Cl inter-actions. These chains are stacked along the a axis.

| S-EPMC2984080 | biostudies-other

3-(2,4-Dichloro-phen-oxy)-1-(4-meth-oxy-phen-yl)-4-(3-nitro-phen-yl)azetidin-2-one.

Project description:In the title compound, C(22)H(16)Cl(2)N(2)O(5), the nearly planar four-membered ?-lactam ring [maximum deviations of 0.011?(2) for the N atom] makes dihedral angles of 68.34?(13), 83.04?(13) and 3.37?(13)° with the dichloro-, nitro- and meth-oxy-phenyl rings, respectively. The crystal structure is stabilized by C-H?O hydrogen-bond inter-actions. In addition, a ?-? stacking inter-action [centroid-centroid distance = 3.6622?(12)?Å] is observed between the ?-lactam and nitro-phenyl rings.

| S-EPMC3050394 | biostudies-literature

1-(2,4-Dichloro-phen-yl)-5-(2-nitro-anilino)-1H-pyrazole-4-carbonitrile.

Project description:In the title compound, C(16)H(9)Cl(2)N(5)O(2), the folded mol-ecular conformation is characterized by a dihedral angle between the two benzene rings of 74.03?(5)°. An intra-molecular N-H?O hydrogen bond is observed between the H atom of the amide group and a nitro-group O atom. Inter-molecular C-H?O and N-H?N hydrogen bonds feature in the crystal packing.

| S-EPMC3344087 | biostudies-literature

1-{(1Z)-1-[3-(2,4-Dichloro-phen-oxy)prop-oxy]-1-(2,4-difluoro-phen-yl)prop-1-en-2-yl}-1H-1,2,4-triazole.

Project description:In the title compound, C(20)H(17)Cl(2)F(2)N(3)O(2), the triazole ring makes dihedral angles of 28.0 (3) and 72.5 (2)° with the 2,4-dichloro-pheny and 2,4-difluoro-phenyl rings, respectively, and the mol-ecule adopts a Z-conformation about the C=C double bond. In the crystal, C-H⋯O and C-H⋯N hydrogen bonds link the mol-ecules.

| S-EPMC3379359 | biostudies-literature

N-(2,4-Dichloro-phen-yl)benzamide.

Project description:The conformations of the N-H and C=O bonds in the structure of the title compound, C(13)H(9)Cl(2)NO, are anti to each other, similar to that observed in N-phenyl-benzamide, N-(2-chloro-phen-yl)benzamide, N-(4-chloro-phen-yl)benzamide, N-(2,3-dichloro-phen-yl)benzamide, N-(2,6-dichloro-phen-yl)benzamide and other benzanilides. The amide -NHCO- group forms a dihedral angle of 33.0 (2)° with the benzoyl ring, while the rings are almost coplanar, making a dihedral angle of 2.6 (2)°). The mol-ecules are linked by N-H⋯O hydrogen bonds into infinite chains running along the b axis.

| S-EPMC2961566 | biostudies-literature

(2,4-Dichloro-phen-yl)(diphenyl-phosphor-yl)methanol.

Project description:In the title compound, C(19)H(15)Cl(2)O(2)P, the dihedral angle between the mean planes of the phenyl rings bonded to the P atom is 75.4 (1)°. In the crystal, mol-ecules are linked into chains running along the a axis by inter-molecular O-H⋯O hydrogen bonds. Mol-ecules are further connected into a three-dimensional array by weak C-H⋯O inter-actions.

| S-EPMC2979971 | biostudies-literature

2,4-Dichloro-N-(3,4-dichloro-phen-yl)benzene-sulfonamide.

Project description:In the crystal structure of the title compound, C(12)H(7)Cl(4)NO(2)S, the conformation of the N-H bond is syn to the meta-chloro residue in the aniline benzene ring. The two aromatic rings are tilted relative to each other by 68.9?(1)°. N-H?O hydrogen bonds connect the mol-ecules into centrosymmetric dimers.

| S-EPMC2977279 | biostudies-literature

2,4-Dichloro-N-(2,3-dichloro-phen-yl)benzene-sulfonamide.

Project description:In the title compound, C(12)H(7)Cl(4)NO(2)S, the conformation of the N-C bond in the C-SO(2)-NH-C segment is gauche with respect to the S=O bonds. Further, the N-H bond in the C-SO(2)-NH-C segment is syn with respect to the ortho-Cl atoms in the aniline and sulfonyl benzene rings. The C-SO(2)-NH-C torsion angle is -51.98 (18)°. The sulfonyl and aniline benzene rings are tilted by 67.7 (1)° relative to each other. An intra-molecular N-H⋯Cl hydrogen bond occurs.

| S-EPMC3247310 | biostudies-literature

2,4-Dichloro-N-(3,5-dichloro-phen-yl)benzene-sulfonamide.

Project description:In the title compound, C(12)H(7)Cl(4)NO(2)S, the N-H bond in the C-SO(2)-NH-C segment is syn with respect to the ortho-Cl atom of the sulfonyl-benzene ring and one of the meta-Cl atoms of the aniline ring. The C-SO(2)-NH-C torsion angle is -93.9 (2)°. The benzene rings are tilted relative to each other by 61.9 (1)°. The crystal structure features inversion-related dimers linked by pairs of N-H⋯O hydrogen bonds.

| S-EPMC3247380 | 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