Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

N,N'-Bis(4-chloro-phen-yl)maleamide.

ABSTRACT: In the crystal of the title compound, C(16)H(12)Cl(2)N(2)O(2), the two C=O groups are anti to each other, while one of them is syn and the other is anti to their adjacent C-H bonds. The two benzene rings are oriented at an inter-planar angle of 56.4?(1)°, while the dihedral angles between the central amide group (N-C-C-C-C-N) and these rings are 3.6?(1) and 54.1?(1)°. An intra-molecular N-H?O hydrogen bond occurs. In the crystal, inter-molecular N-H?O hydrogen bonds link the mol-ecules into infinite chains along the a axis.

SUBMITTER: Shakuntala K

PROVIDER: S-EPMC3120495 | biostudies-literature | 2011 Jun

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

N,N'-Bis(4-chloro-phen-yl)maleamide.

Shakuntala K K Foro Sabine S Gowda B Thimme BT

Acta crystallographica. Section E, Structure reports online 20110514 Pt 6

In the crystal of the title compound, C(16)H(12)Cl(2)N(2)O(2), the two C=O groups are anti to each other, while one of them is syn and the other is anti to their adjacent C-H bonds. The two benzene rings are oriented at an inter-planar angle of 56.4 (1)°, while the dihedral angles between the central amide group (N-C-C-C-C-N) and these rings are 3.6 (1) and 54.1 (1)°. An intra-molecular N-H⋯O hydrogen bond occurs. In the crystal, inter-molecular N-H⋯O hydrogen bonds link the mol-ecules into infi ...[more]

PMID: 21754797

Similar Datasets

N,N'-Bis(2-chloro-phen-yl)succinamide.

Project description:There is one half-mol-ecule in the asymmetric unit of the title compound, C(16)H(14)Cl(2)N(2)O(2), with a center of symmetry at the mid-point of the central C-C bond. The N-H and C=O bonds in the C-NH-C(O)-C fragment are anti to each other and the amide O atom is anti to the H atoms attached to the adjacent C atoms. However, the conformation of the N-H bond in the amide fragments is syn to the ortho-chloro groups in the adjacent benzene rings. The dihedral angle between the benzene ring and the NH-C(O)-CH(2) fragment is 47.0?(2)°. In the crystal, a series of N-H?O inter-molecular hydrogen bonds link the mol-ecules into chains along the b axis.

| S-EPMC3089196 | biostudies-literature

Bis(2,3-di-chloro-phen-yl) di-sulfide.

Project description:The title compound, C12H6Cl4S2, features an S-S bond [2.0252?(8)?Å] that bridges two 2,3-di-chloro-phenyl rings with a C-S-S-C torsion angle of 88.35?(11)°. The benzene rings are normal one to the other with a dihedral angle of 89.83?(11)°. The crystal structure features inter-molecular Cl?Cl [3.4763?(11)?Å] and ?-? stacking inter-actions [centroid-centroid distances = 3.696?(1) and 3.641?(2)?Å]. Intra-molecular C-H?S inter-actions are also observed.

| S-EPMC4011246 | biostudies-literature

Bis(4-amino-2-chloro-phen-yl) disulfide.

Project description:The title compound, C(12)H(10)Cl(2)N(2)S(2), features an S-S bond [2.0671?(16)?Å] that bridges two 4-amino-2-chloro-phenyl rings with a C-S-S-C torsion angle of -84.2?(2)°. The two benzene rings are twisted with respect to each other at a dihedral angle of 39.9?(2)°. Inter-molecular N-H?S hydrogen bonding is present in the crystal structure.

| S-EPMC3089315 | biostudies-literature

N,N'-Bis(3-chloro-phen-yl)malonamide.

Project description:The asymmetric unit of the title compound, C(15)H(12)Cl(2)N(2)O(2), contains two independent mol-ecules. In both independent mol-ecules, the N-H bond in one of the amide fragments is anti to the meta-chloro group of the adjacent benzene ring and that in the other amide group is syn to the other meta-chloro group. Furthermore, in both mol-ecules, each amide group is almost coplanar with the adjacent phenyl ring, making dihedral angles of 10.5 (2) and 8.7 (2)° in one molecule and 9.0 (2) and 9.6 (2)° in the other. The planes of the amide groups are inclined at dihedral angles of 83.4 (1) and 87.4 (1)° in the two mol-ecules. In the crystal, mol-ecules are linked into a chain by inter-molecular N-H⋯O hydrogen bonds.

| S-EPMC3200632 | biostudies-literature

N,N'-Bis(4-chloro-phen-yl)urea.

Project description:The carbonyl unit of the title compound, C(13)H(10)Cl(2)N(2)O, lies on a twofold rotation axis. The ring is aligned at 51.6 (1)° with respect to the N-C(=O)-N fragment. The two -NH- fragments of one mol-ecule form hydrogen bonds [2.845 (2) Å] to the C=O fragment of an adjacent mol-ecule, giving rise to the formation of a linear hydrogen-bonded chain.

| S-EPMC2961192 | biostudies-literature

1,5-Bis(4-chloro-phen-yl)-3-(4-methyl-phen-yl)pentane-1,5-dione.

Project description:In the title mol-ecule, C24H20Cl2O2, the central methyl-benzene ring forms dihedral angles of 42.47?(10) and 34.34?(10)° with the terminal 4-chloro-phenyl fragments. The dihedral angle between the chloro-benzene rings is 34.45?(11)°. A weak intra-molecular C-H?O inter-action generates an S(6) ring motif. The crystal packing exhibits weak C-H?O hydrogen bonds and C-H?? inter-actions.

| S-EPMC3790380 | biostudies-literature

1,8-Bis(3-chloro-anilino)-N,N'-bis-(3-chloro-phen-yl)octane-1,8-diimine.

Project description:There are two half-mol-ecules in the asymmetric unit of the title compound, C(32)H(30)Cl(4)N(4), in both of which the N-H bonds are syn to the meta-chloro substituents in the adjacent benzene ring. The other two Cl atoms of these two mol-ecules are disordered with occunpancy ratios of 0.79 (2):0.21 (2) and 0.68 (1):0.32 (1). Adjacent chloro-phenyl rings make dihedral angles of 74.3 (2) and 63.0 (2)° in the two mol-ecules. In the crystal, inter-molecular N-H⋯N hydrogen bonds link the mol-ecules into infinite chains.

| S-EPMC3051938 | biostudies-literature

N,N'-Bis(2-chloro-phen-yl)propane-diamide.

Project description:The crystal structure of the title compound, C(15)H(12)Cl(2)N(2)O(2), contains three intramolecular hydrogen bonds; two C-H?O and a nonclassical N-H?Cl. The structure is further stabilized by intermolecular N-H?O hydrogen bonds and C-H?? interactions, resulting in a three-dimensional network. The two benzene rings make an interplanar angle of 58.0?(1)°.

| S-EPMC3009238 | biostudies-literature

1,3-Bis(4-chloro-phen-yl)-4,5-diethoxy-imidazolidine.

Project description:In the mol-ecule of the title compound, C(19)H(22)Cl(2)N(2)O(2), the two benzene rings are oriented at a dihedral angle of 3.70 (3)°. The five-membered ring adopts an envelope conformation.

| S-EPMC2959530 | biostudies-literature

1,4-Bis(4-chloro-phen-yl)butane-1,4-dione.

Project description:The mol-ecule of title compound, C(16)H(12)Cl(2)O(2), is centrosymmetric. Thus, the asymmetric unit comprises two half-mol-ecules. The two benzene rings are coplanar in each independent molecule (dihedral angles = 0°). The crystal packing exhibits inter-molecular C-H⋯O hydrogen bonds and C-H⋯π inter-actions.

| S-EPMC2959836 | 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