Browse
Submit Data
Databases
API
Help

Dataset Information

15 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

N,N'-Bis(2,5-dichloro-phen-yl)isophthalamide.

ABSTRACT: The asymmetric unit of the title compound, C(20)H(12)Cl(4)N(2)O(2), contains one half-mol-ecule with a center of symmetry along a C⋯C axis of the central benzene ring. The two C=O groups adopt an anti orientation and the two amide groups are twisted away from the central benzene ring by 27.38 (3) and 27.62 (4)°. The mean planes of the dichloro-substituted benzene rings are twisted by 7.95 (4)° with respect to the benzene ring. The crystal packing is stabilized by weak inter-molecular N-H⋯O inter-actions.

SUBMITTER: Zhu R

PROVIDER: S-EPMC3200923 | biostudies-literature |

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Similar Datasets

2,2-Dichloro-N-(2,5-dichloro-phen-yl)acetamide.

Project description:The conformation of the N-H bond in the title compound, C(8)H(5)Cl(4)NO, is syn to the 2-chloro substituent and anti to the 5-chloro substituent in the aromatic ring. The bond parameters are similar to those in 2,2-dichloro-N-phenyl-acetamide and other acetanilides. In the crystal structure, the mol-ecules are linked into chains through N-H?O hydrogen bonding.

| S-EPMC2915043 | biostudies-literature

N-(2,5-Dichloro-phen-yl)maleamic acid.

Project description:The asymmetric unit of the title compound, C(10)H(7)Cl(2)NO(3), contains two independent mol-ecules. The mol-ecular conformation of each maleamic unit is stabilized by an intra-molecular O-H?O(carbon-yl) hydrogen bond owing to the anti disposition of the participating entities. The mean planes through the benzene ring and the amido group are inclined at angles of 45.7?(1) and 40.8?(1)° in the two mol-ecules. In the crystal, the independent mol-ecules self-associate via N-H?O hydrogen bonds into zigzag ribbons propagating along the a axis. The ribbons are weakly coupled by C-H?? and C-H?O inter-actions.

| S-EPMC2972031 | biostudies-literature

N-(2,5-Dichloro-phen-yl)succinamic acid.

Project description:In the title compound, C(10)H(9)Cl(2)NO(3), the conformation of the N-H bond in the amide segment is syn with respect to the ortho-Cl atom and anti to the meta-Cl atom of the benzene ring. In the crystal, inter-molecular O-H?O and N-H?O hydrogen bonds pack the mol-ecules into two types of chains along the a and b axes, respectively, leading to an overall sheet structure. The acid group in the side chain is disordered and was refined using a split model with site-occupation factors of 0.60:0.40.

| S-EPMC3213535 | biostudies-literature

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

Project description:In the title compound, C(12)H(9)Cl(2)NO(2)S, the conformation of the N-H bond is syn to the 2-chloro group and anti to the 3-chloro group of the aniline benzene ring. The mol-ecule is bent at the S atom with a C-SO(2)-NH-C torsion angle of 66.4?(2)°. The two rings form a dihedral angle of 73.3?(1)° and an intra-molecular N-H?Cl hydrogen bond occurs. The crystal structure features chains linked by N-H?O hydrogen bonds.

| S-EPMC2983589 | biostudies-literature

2-Chloro-N-(2,5-dichloro-phen-yl)acetamide.

Project description:The conformation of the N-H bond in the structure of the title compound, C(8)H(6)Cl(3)NO, is anti to the C=O bond. The N-H H atom shows close intra-molecular N-H?Cl hydrogen bonds with both the ring Cl atom in the ortho position and the side-chain Cl atom. The mol-ecules crystallize in planes parallel to (221).

| S-EPMC2969621 | biostudies-literature

2,5-Dichloro-N-(3-methyl-phen-yl)benzenesulfonamide.

Project description:In the title compound, C(13)H(11)Cl(2)NO(2)S, the dihedral angle between the aromatic rings is 76.62 (10)° and the C-S-N-C linkage between the rings adopts a gauche conformation [torsion angle = -51.4 (2)°]. A weak intra-molecular C-H⋯O inter-action closes an S(6) ring. In the crystal, inversion dimers linked by pairs of N-H⋯O hydrogen bonds generate R(2) (2)(8) loops.

| S-EPMC3414931 | biostudies-literature

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

Project description:The asymmetric unit of the title compound, C(14)H(13)Cl(2)NO(2)S, contains three independent moleules. The torsion angles of the C-SO2-NH-C segments in the three mol-ecules are 67.5?(2), 83.4?(2) and -77.5?(2)°. The two aromatic rings are tilted relative to each other by 68.8?(1), 64.1?(1) and 68.5?(1)°. The crystal structure features dimers linked by pairs of N-H?O hydrogen bonds.

| S-EPMC3201254 | biostudies-literature

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

Project description:In the title compound, C(13)H(11)Cl(2)NO(2)S, the N-C bond in the C-SO(2)-NH-C segment has gauche torsion angles with respect to the S=O bonds. The mol-ecule is bent at the S atom with an C-SO(2)-NH-C torsion angle of 62.1?(2)°. Furthermore, the conformation of the N-H bond is syn to the ortho-chloro group in the adjacent benzene ring. The benzene rings are tilted by 67.8?(1)° relative to each other. The crystal structure features dimers linked by N-H?O hydrogen bonds. An intra-molecular N-H?Cl hydrogen bond is also observed.

| S-EPMC3050363 | biostudies-literature

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

Project description:In the title compound, C(14)H(13)Cl(2)NO(2)S, the dihedral angle between the aromatic rings is 62.21 (7)° and the C-S-N-C group adopts a gauche conformation [torsion angle = 60.22 (17)°]. In the crystal, N-H⋯O hydrogen bonds link the mol-ecules into C(4) chains propagating in [010]. A short inter-molecular Cl⋯O contact of 3.1115 (17) Å is seen.

| S-EPMC3435760 | biostudies-literature

2,5-Dichloro-N-(4-meth-oxy-phen-yl)benzensulfonamide.

Project description:In the title compound, C(13)H(11)Cl(2)NO(3)S, the dihedral angle between the benzene rings is 74.37 (3)°. In the crystal, inter-molecular N-H⋯O hydrogen bonds link the mol-ecules into chains along the b axis.

| S-EPMC3051441 | 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