Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

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

ABSTRACT: 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)°.

SUBMITTER: Gowda BT

PROVIDER: S-EPMC3009238 | biostudies-literature | 2010 Oct

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

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

Gowda B Thimme BT Tokarčík Miroslav M Rodrigues Vinola Z VZ Kožíšek Jozef J Fuess Hartmut H

Acta crystallographica. Section E, Structure reports online 20101031 Pt 11

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⋯π interactions, resulting in a three-dimensional network. The two benzene rings make an interplanar angle of 58.0 (1)°. ...[more]

PMID: 21589192

Similar Datasets

N,N'-Bis(3-methyl-phen-yl)propane-diamide.

Project description:The mol-ecular structure of the title compound, C(17)H(18)N(2)O(2), is symmetrical around the central C atom. The two halves of the mol-ecule are related by a twofold rotation axis. In each half of the mol-ecule, the structure is stabilized by intra-molecular C-H?O hydrogen bonds. Furthermore, each amide group is almost coplanar with the adjacent benzene ring [dihedral angle is 9.2?(2)°]. The planes of the amide groups are inclined at an angle of 68.5?(1)°, while the two benzene rings make a dihedral angle of 70.40?(3)°. In the crystal, mol-ecules are linked by inter-molecular N-H?O hydrogen bonds into chains running along the c axis. Neighbouring chains are weakly coupled by ?-? stacking inter-actions [centroid-centroid distance = 3.7952?(8)?Å].

| S-EPMC3009026 | biostudies-literature

2,2-Bis(3-chloro-methyl-4-ethoxy-phen-yl)propane.

Project description:The title compound, C(21)H(26)Cl(2)O(2), a bis-chloro-methyl derivative of O-ethyl-ated bis-phenol A, exhibits C(2) mol-ecular symmetry. It shows a bent conformation with the two benzene rings nearly perpendicular [dihedral angle = 87.17?(6)°].

| S-EPMC2961668 | biostudies-literature

N,N'-Bis[(2-hydroxy-phen-yl)(phen-yl)methyl-idene]propane-1,2-diamine.

Project description:In the the title compound, C(29)H(26)N(2)O(2), two strong intra-molecular O-H?N hydrogen bonds involving the hydr-oxy and imine groups generate S(6) ring motifs. The dihedral angles between the pairs of terminal benzene rings are 89.8?(2) and 87.8?(2)°.

| S-EPMC2979517 | biostudies-literature

1,1,1,3,3,3-Hexafluoro-2,2-bis-[4-(4-nitro-phen-oxy)phen-yl]propane.

Project description:In the title compound, C(27)H(16)F(6)N(2)O(6), the nitro groups are almost coplanar with the aromatic rings to which they are attached [dihedral angles = 3.5 (5) and 6.2 (3)°]. The dihedral angles between adjacent aromatic rings are 78.07 (8) and 71.11 (8)° for nitro-phen-yl/phenyl and 69.50 (8)° for phen-yl/phenyl. An inter-molecular C-H⋯π inter-action seems to be effective in the stabilization of the structure.

| S-EPMC2962162 | biostudies-literature

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(4-chloro-phen-yl)maleamide.

Project description: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.

| S-EPMC3120495 | 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

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