Browse
Submit Data
Databases
API
Help

Dataset Information

10 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

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

ABSTRACT: 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?? hydrogen bonds.

SUBMITTER: Nizammohideen M

PROVIDER: S-EPMC2968863 | biostudies-other | 2009

REPOSITORIES: biostudies-other

ACCESS DATA

Json Xml

Publications

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

Nizammohideen M M Thenmozhi S S Subbiahpandi A A Selvam N Panneer NP Perumal P T PT

Acta crystallographica. Section E, Structure reports online 20090325 Pt 4

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. ...[more]

PMID: 21582549

Similar Datasets

Diethyl [hydr-oxy(2-nitro-phen-yl)-meth-yl]phospho-nate.

Project description:In the title mol-ecule, C(11)H(16)NO(6)P, the nitro group is twisted out of the mean plane of the benzene ring at 29.91?(3)°. The two ethyl groups are disordered between two orientations in the ratios 0.784?(7)/0.216?(7) and 0.733?(6)/0.267?(6). Inter-molecular O-H?O hydrogen bonds link the mol-ecules into centrosymmetric dimers.

| S-EPMC2915213 | biostudies-literature

Dimethyl [hydr-oxy(2-nitro-phen-yl)meth-yl]phospho-nate.

Project description:In the title compound, C(9)H(12)NO(6)P, intra-molecular C-H?O hydrogen bonds form five- and six-membered rings. In the crystal, inversion dimers lined by pairs of C-H?O hydrogen bonds occur with ring motifs R(2) (2)(10). The O atom of the hydr-oxy group behaves as an accepter and the benzene ring as donor. Adjacent dimers are connected through O-H?O links.

| S-EPMC2968685 | biostudies-literature

N-[(2-Hydr-oxy-1-naphthyl)(3-nitro-phenyl)meth-yl]acetamide.

Project description:The title compound, C(19)H(16)N(2)O(4), is of inter-est as a precursor to biologically active substituted quinolines and related compounds. The dihedral angle between the naphthalene ring system and the benzene ring is 81.9?(1)°. The crystal structure is stabilized by N-H?O inter-molecular hydrogen bonds, linking the mol-ecules into pairs around a center of symmetry. The crystal structure is further stabilized by inter-molecular O-H?O hydrogen bonds, which link the mol-ecules into chains running along a axis. An intra-molecular C-H?O short contact is also present.

| S-EPMC2968788 | biostudies-literature

N-[(2-Hydr-oxy-1-naphth-yl)(2-hydroxy-phen-yl)meth-yl]acetamide.

Project description:In the asymmetric unit of the title compound, C(19)H(17)NO(3), there are two crystallographically independent mol-ecules, which are connected to each other by O-H?O hydrogen bonds, forming mol-ecular chains as well as cyclic centrosymmetric R(2) (2)(16) dimers.

| S-EPMC2968777 | 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-(4-Nitro-phen-oxy)phen-yl]acetamide.

Project description: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.

| S-EPMC3414940 | biostudies-literature

Diethyl [hydr-oxy(phen-yl)meth-yl]phospho-nate.

Project description:Mol-ecules of the title compound, C(11)H(17)O(4)P, are linked into chiral helical chains along the crystallographic b axis via O-H?O hydrogen bonds between the hydr-oxy group and an O atom of the phospho-nate group. One ethyl group is disordered over two positions; the site occupancy factors are ca 0.7 and 0.3.

| S-EPMC2961637 | 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?? 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

1-(2-Meth-oxy-phen-yl)-2-{[2-(2-meth-oxy-phen-yl)hydrazinyl-idene](nitro)-meth-yl}diazene.

Project description:In the title compound, C(15)H(15)N(5)O(4), a nitro-formazan derivative, the formazan unit is essentially planar with an r.m.s. deviation of 0.0204?(6)?Å and adopts a closed syn,s-cis configuration with an intra-molecular N-H?N hydrogen bond. The formazan plane makes dihedral angles of 4.32?(5) and 24.35?(5)° with the benzene rings. The dihedral angle between the formazan plane and the nitro group is 12.58?(8)°. In the crystal, C-H?O inter-actions connect the mol-ecules into an inversion dimer.

| S-EPMC3295411 | biostudies-literature

1-(2-Hydr-oxy-3,4-dimethoxy-phen-yl)-2-(4-methoxy-phen-yl)ethanone.

Project description:In the title compound, C(17)H(18)O(5), the pyrogallol group is almost coplanar with the mean plane of the attached carbonyl group [dihedral angle of 1.95 (13)°] and makes a dihedral angle of 56.01 (10)° with the other benzene ring. Of the three meth-oxy groups, only one is significantly twisted relative to its attached benzene ring [C-O-C-C torsion angles of 4.0 (5), 3.9 (6) and -106.3 (4)°]. Intra-molecular O-H⋯O and C-H⋯O hydrogen bonds help to establish the conformation, and the packing is consolidated by C-H⋯O inter-actions and π-π stacking interactions [centroid-centroid separation = 3.735 (2) Å].

| S-EPMC2959998 | biostudies-literature

OmicsDI is part of the ELIXIR infrastructure

OmicsDI is an Elixir interoperability service. Learn more ›

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