Browse
Submit Data
Databases
API
Help

Dataset Information

28 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

N-[4-(4-Nitro-phen-oxy)phen-yl]acetamide.

ABSTRACT: The asymmetric unit of the title compound, C(14)H(12)N(2)O(4), contains two mol-ecules that differ principally in the orientation of the acetamide substituent to the adjacent benzene ring with dihedral angles of 44.77 (7) and 19.06 (7)°. The dihedral angles between the benzene rings are 64.46 (4) and 80.84 (4)°. In the crystal, classical N-H⋯O hydrogen bonds form C(4) chains along [100]. These chains are inter-linked by C-H⋯O contacts forming R(2) (2)(10) rings. In the crystal, π-π inter-actions are observed with a distance of 3.5976 (18) Å between the centroids of the nitro-substituted benzene rings of one type of mol-ecule.

SUBMITTER: Nigar A

PROVIDER: S-EPMC3414940 | biostudies-literature |

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Similar Datasets

N-[(2-Hydr-oxy-5-methoxy-phen-yl)(3-nitro-phen-yl)meth-yl]acetamide.

Project description:In the title compound, C(16)H(16)N(2)O(5), the meth-oxy group is disordered with site occupancies of 0.20 (3) and 0.80 (3). The dihedral angle between the two aromatic rings is 73.7 (2)°. The crystal structure is characterized by intermolecular N-H⋯O, O-H⋯O, C-H⋯O and C-H⋯π hydrogen bonds.

| S-EPMC2968863 | biostudies-literature

N-Benzyl-2-(2-bromo-phen-yl)-2-(2-nitro-phen-oxy)acetamide.

Project description:The title compound, C(21)H(17)BrN(2)O(4), a 2-phen-oxy-2-phenyl-acetamide derivative, exhibits a stereogenic center but crystallizes as a racemate as indicated by the centrosymmetric space group. In the mol-ecular structure, the nitro-substituted benzene ring is coplanar [dihedral angle = 12.9?(1)°] with the plane formed by H-N-C(=O)-C=O due to intra-molecular N-H?O hydrogen-bond inter-actions.

| S-EPMC2979402 | biostudies-literature

N-(4-Meth-oxy-2-nitro-phen-yl)-N-(methyl-sulfon-yl)acetamide.

Project description:In the title compound, C(10)H(12)N(2)O(6)S, the nitro group is twisted slightly out of the plane of the aromatic ring, forming a dihedral angle of 20.79?(1)°. In the crystal, the mol-ecules arrange themselves as a chain along the a axis through inter-molecular C-H?O inter-actions.

| S-EPMC2977642 | biostudies-literature

N-{4-[(2-Meth-oxy-phen-yl)sulfamo-yl]phen-yl}acetamide.

Project description:In the title compound, C(15)H(16)N(2)O(4)S, the S atom has a distorted tetra-hedral geometry [maximum deviation: O-S-O = 118.25 (7)°]. The two aromatic rings make a dihedral angle of 62.67 (10)° with each other. An intra-molecular N-H⋯O hydrogen bond forms an S(6) ring motif. In the crystal, mol-ecules form centrosymmetric dimers via pairwise N-H⋯O inter-actions, forming an R(2) (2)(8) ring motif, and these dimers are connected by N-H⋯O hydrogen bonds, generating a three-dimensional network. Furthermore, a weak C-H⋯π inter-action helps to reinforce the crystal structure. The O atom in the acetamide group is disordered over two positions with major and minor occupancies of 0.52 (5) and 0.48 (5), respectively.

| S-EPMC3051762 | biostudies-literature

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

Project description:The conformation of the N-H bond in the structure of the title compound (3NPDCA), C(8)H(6)Cl(2)N(2)O(3), is anti to the meta-nitro group, similar to that in the structures of 2-chloro-N-(3-nitro-phen-yl)acetamide (3NPCA) and 2,2,2-trichloro-N-(3-nitro-phen-yl)acetamide (3NPTCA), and the meta-chloro group in 2,2-dichloro-N-(3-chloro-phen-yl)acetamide (3CPDCA). The geometric parameters of 3NPDCA are similar to those of 2,2-dichloro-N-phenyl-acetamide, 3CPDCA, 3NPCA, 3NPTCA and other acetanilides. Inter-molecular N-H⋯O hydrogen bonds link the mol-ecules into chains running along the b axis.

| S-EPMC2960440 | biostudies-literature

N-[4-(2-Propyn-1-yl-oxy)phen-yl]acetamide.

Project description:The title compound, C(11)H(11)NO(2), was synthesized by chemoselective N-acetyl-ation of 4-amino-phenol followed by reaction with propargyl bromide in the presence of K(2)CO(3). the acetamide and propyn-1-yloxy substituents form dihedral angles of 18.31?(6) and 7.01?(10)°, respectively, with the benzene ring. In the crystal, mol-ecules are linked by N-H?O hydrogen bonds into chains along [010]. C-H?O and C-H?? inter-actions also occur.

| S-EPMC3515179 | biostudies-literature

N-[4-(4-Nitro-phen-oxy)phen-yl]propionamide.

Project description:The title compound, C(15)H(14)N(2)O(4), is an important inter-mediate for the synthesis of thermotropic liquid crystals. The dihedral angle between the two aromatic rings is 84.29?(4)°. An N-H?O hydrogen bond connects the mol-ecules into chains running along the b axis. In addition, the crystal packing is stabilized by weak C-H?O hydrogen bonds.

| S-EPMC2959666 | biostudies-literature

N-[3-(tert-Butyl-dimethyl-siloxymeth-yl)-5-nitro-phen-yl]acetamide.

Project description:The title compound, C(15)H(24)N(2)O(4)Si, was prepared by the reaction of (3-acetamido-5-nitro-benz-yl)methanol with tert-butyl-dimethyl-silyl chloride and is a key inter-mediate in the synthesis of novel nonsymmetrical DNA minor groove-binding agents. There are two independent mol-ecules in the structure, which differ primarily in the rotation about the C-O bond next to the Si atom. Two strong N-H?O hydrogen bonds align the mol-ecules into a wide ribbon extending approximately parallel to the b axis.

| S-EPMC2959232 | biostudies-literature

N-(4-Chloro-2-nitro-phen-yl)-N-(methyl-sulfon-yl)acetamide.

Project description:The title compound, C(9)H(9)ClN(2)O(5)S, is of inter-est as a precursor to biologically active substituted quinolines and related compounds. The structure displays inter-molecular C-H?O inter-actions. Each mol-ecule is linked to two adjacent neighbours via weak centrosymmetric dimer-forming inter-actions, forming chains in the [101] direction.

| S-EPMC2959785 | biostudies-literature

2-[(5,7-Dibromo-quinolin-8-yl)-oxy]-N-(2-meth-oxy-phen-yl)acetamide.

Project description:In the title compound, C(18)H(14)Br(2)N(2)O(3), an intra-molecular N-H?N hydrogen bond forms an eight-membered ring. The dihedral angle between the planes of the quinoline system and the benzene ring is 41.69?(1)°. The crystal packing is stabilized by inter-molecular C-H?O hydrogen bonds and short Br?O inter-actions [3.0079?(19)?Å].

| S-EPMC3011411 | 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