Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

1-(4-Amino-3,5-dichloro-phen-yl)ethanol.

ABSTRACT: The asymmetric unit of the title compound, C(8)H(9)Cl(2)NO, contains two crystallographically independent mol-ecules which are connected via an N-H?O hydrogen bond . There is aromatic ?-? stacking in the crystal, with a centroid-centroid distance between benzene rings of 3.48?(2)Å. The crystal packing is stabilized by intermolecular hydrogen bonds.

SUBMITTER: Liu P

PROVIDER: S-EPMC3151868 | biostudies-other | 2011 Jul

REPOSITORIES: biostudies-other

ACCESS DATA

Json Xml

Publications

1-(4-Amino-3,5-dichloro-phen-yl)ethanol.

Liu Peng P Wu Jian-Feng JF Wang Ping-An PA He Wei W Wang Hai-Bo HB

Acta crystallographica. Section E, Structure reports online 20110630 Pt 7

The asymmetric unit of the title compound, C(8)H(9)Cl(2)NO, contains two crystallographically independent mol-ecules which are connected via an N-H⋯O hydrogen bond . There is aromatic π-π stacking in the crystal, with a centroid-centroid distance between benzene rings of 3.48 (2)Å. The crystal packing is stabilized by intermolecular hydrogen bonds. ...[more]

PMID: 21837206

Similar Datasets

2-{2-[(2,6-Dichloro-phen-yl)amino]-phen-yl}ethanol.

Project description:In the title compound, C(14)H(13)Cl(2)NO, the 2,6-dichloro-anilino unit is roughly planar (r.m.s. deviation = 0.0298 Å) and makes a dihedral angle of 67.71 (4)° with the benzene ring containing the ethanol group. The C-C-O fragment is oriented at a dihedral angle of 64.94 (9)° with respect to its parent benzene ring. The molecular conformation is stabilised by a bifurcated N-H⋯(O,Cl) hydrogen bond. C-H⋯π, O-H⋯π and π-π inter-actions [centroid-centroid distance = 3.5706 (11) Å] stabilize the crystal structure.

| S-EPMC3051747 | biostudies-literature

N-(3,5-Dichloro-phen-yl)benzamide.

Project description:The conformation of the H-N-C=O unit in the title compound, C(13)H(9)Cl(2)NO, is trans, similar to the conformation observed in N-(3-chloro-phen-yl)benzamide, N-(2,3-dichloro-phen-yl)benzamide, N-(2,4-dichloro-phen-yl)benzamide, N-(2,6-dichloro-phen-yl)benzamide and N-(3,4-dichloro-phen-yl)benz-amide. The amide group makes dihedral angles of 14.3 (8) and 44.4 (4)° with the benzoyl and aniline rings, respectively, while the benzoyl and aniline rings form a dihedral angle of 58.3 (1)°. The mol-ecules are linked by N-H⋯O hydrogen bonds into infinite chains running along the c axis.

| S-EPMC2961786 | 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

N-(3,5-Dichloro-phen-yl)maleamic acid.

Project description:In the title compound, C(10)H(7)Cl(2)NO(3), the asymmetric unit contains four independent mol-ecules, which are linked to each other by N-H?O hydrogen bonds. The mol-ecular structure is stabilized by a short intra-molecular O-H?O hydrogen bond within each maleamic acid unit. In the crystal, the mol-ecules are linked into networks through N-H?O hydrogen bonds and inter-molecular C-Cl?O=C contacts [Cl?O = 3.0897?(12) and 3.0797?(13)?Å].

| S-EPMC2980102 | biostudies-literature

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

Project description:In the crystal structure of the title compound, C(12)H(9)Cl(2)NO(2)S, the aromatic rings are aligned at 57.0 (1)°. The mol-ecules form chains via inter-molecular N-H⋯O hydrogen bonds.

| S-EPMC2959669 | biostudies-literature

2-Chloro-N-(3,5-dichloro-phen-yl)acetamide.

Project description:The structure of the title compound, C(8)H(6)Cl(3)NO, is closely related to that of N-(3,5-dichloro-phen-yl)acetamide and other amides. The mol-ecular skeleton is essentially planar. The mol-ecules in the crystal structure are stabilized by N-H⋯O and N-H⋯Cl inter-molecular hydrogen bonds running along the a axis.

| S-EPMC2960189 | biostudies-literature

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

Project description:The structure of the title compound, C(10)H(11)Cl(2)NO, resembles those of 2,2-dichloro-N-phenyl-acetamide, 2,2-dichloro-N-(2-methyl-phen-yl)acetamide, 2,2-dichloro-N-(3-methyl-phen-yl)-acetamide, 2,2-dichloro-N-(4-methyl-phen-yl)acetamide, N-(3,5-dimethyl-phen-yl)acetamide and other acetanilides, with similar bond parameters. The mol-ecules in the title compound are linked into infinite chains through N-H⋯O and C-H⋯O hydrogen bonding.

| S-EPMC2915270 | biostudies-literature

N-(3,5-Dichloro-phen-yl)-2-(naphthalen-1-yl)acetamide.

Project description:In the title compound, C(18)H(13)Cl(2)NO, the naphthalene ring system [maximum deviation = 0.038 (4) Å] and the benzene ring form dihedral angles of 69.5 (2) and 37.2 (2)°, respectively, with the essentially planar acetamide unit [maximum deviation = 0.004 (4) Å]. The naphthalene ring system forms a dihedral angle of 52.36 (18)° with the benzene ring. In the crystal, mol-ecules are linked via inter-molecular N-H⋯O hydrogen bonds, forming chains along [001].

| S-EPMC3247353 | biostudies-literature

N-{2-[2-(2,6-Dichloro-3,5-dimethoxy-phen-yl)ethen-yl]phen-yl}acetamide.

Project description:The C=C double bond in the title substituted stilbene, C(18)H(17)Cl(2)NO(3), has a trans arrangement of the aryl substit-uents. The aromatic ring of the 2-acetyl-amino-phenyl substit-uent is twisted by 39.9?(3)° with respect to the central C-C=C-C unit and that of the 2,6-dichloro-3,5-dimethoxy-phenyl substitutent is twisted by 42.7?(3)°.

| S-EPMC2968122 | biostudies-literature

5-[(3,5-Dichloro-anilino)meth-yl]-N-(3,5-dichloro-phen-yl)-6-methyl-2-phenyl-pyrimidin-4-amine.

Project description:In the title compound, C24H18Cl4N4, the pyrimidine ring makes dihedral angles of 19.1 (2), 4.1 (2) and 67.5 (2)°, respectively, with phenyl and two benzene rings, and the mol-ecular conformation is stabilized by an intra-molecular N-H⋯N hydrogen bond closing a six-membered ring with an S(6) motif. In the crystal, a pair of inter-molecular N-H⋯N hydrogen bonds connect two mol-ecules, forming inversion dimers with R2(2)(12) motifs. C-H⋯π inter-actions links the dimers into a chain running along the a-axis direction. There are also π-π stacking inter-actions [centroid-centroid distance = 3.666 (4) Å] between the benzene rings of adjacent chains.

| S-EPMC3588999 | 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