Browse
Submit Data
Databases
API
Help

Dataset Information

27 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Ethyl 2-(4-nitro-phen-oxy)acetate.

ABSTRACT: In the title mol-ecule, C(10)H(11)NO(5), the methyl C atom deviates by 0.830?(6)?Å from the mean plane of the remaining non-H atoms. In the crystal, weak C-H?O hydrogen bonds link the mol-ecules into layers parallel to the bc plane.

SUBMITTER: Sun SW

PROVIDER: S-EPMC3344636 | biostudies-literature | 2012 May

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

Ethyl 2-(4-nitro-phen-oxy)acetate.

Sun Su-Wen SW

Acta crystallographica. Section E, Structure reports online 20120425 Pt 5

In the title mol-ecule, C(10)H(11)NO(5), the methyl C atom deviates by 0.830 (6) Å from the mean plane of the remaining non-H atoms. In the crystal, weak C-H⋯O hydrogen bonds link the mol-ecules into layers parallel to the bc plane. ...[more]

PMID: 22590398

Similar Datasets

tert-Butyl 2-(4-nitro-phen-oxy)acetate.

Project description:In the title mol-ecule, C(12)H(15)NO(5), the nitro-phen-oxy portion is approximately planar (r.m.s. deviation = 0.034 Å) and makes an angle of 84.8 (1)° with respect to the -CH(2)-C(=O)-O-C fragment. In the crystal, π-π stacking is observed between nearly parallel benzene rings of adjacent mol-ecules, the centroid-centroid distance being 3.6806 (10) Å. Weak inter-molecular C-H⋯O hydrogen bonding is present in the crystal structure.

| S-EPMC3051522 | biostudies-literature

Ethyl 2-(4-benzoyl-2,5-dimethyl-phen-oxy)acetate.

Project description:The title compound, C(19)H(20)O(4), was synthesized via a Fries rearrangement of hydr-oxy benzophenone. The dihedral angle between the least-squares planes of the two benzene rings is 69.04?(11)°. The mol-ecular structure displays an intra-molecular non-classical C-H?O hydrogen bond.

| S-EPMC2971156 | biostudies-literature

Ethyl 2-(2-hy-droxy-5-nitro-phen-yl)acetate.

Project description:In the crystal structure of the title compound, C(10)H(11)NO(5), inter-molecular O-H⋯O hydrogen bonds link the mol-ecules into chains along the b-axis direction. Weak C-H.·O hydrogen bonds also occur.

| S-EPMC3051587 | biostudies-literature

Ethyl 4-nitro-phenyl-acetate.

Project description:In the asymmetric unit of the title compound, C(10)H(11)NO(4), there are two crystallographically independent mol-ecules, which are connected via a C-H⋯O hydrogen bond. The crystal structure is stabilized by this hydrogen bond together with an N-O⋯π contact [O⋯Cg 3.297 (5) Å; Cg is the centroid of one of the benzene rings].

| S-EPMC2960243 | biostudies-literature

Ethyl 2-{[5-(3-chloro-phen-yl)-1-phenyl-1H-pyrazol-3-yl]-oxy}acetate.

Project description:The title compound, C(19)H(17)ClN(2)O(3), was synthesized by the reaction of 5-(3-chloro-phen-yl)-1-phenyl-1H-pyrazol-3-ol and ethyl 2-bromo-acetate. In the crystal, the C- and N-linked benzene rings are twisted by 45.15?(3) and 53.55?(3)°, respectively, from the plane of the bridging 1H-pyrazole ring.

| S-EPMC3254470 | biostudies-literature

2-Phen-oxy-ethyl benzoate.

Project description:In the title compound, C15H14O3, the dihedral angle between the benzene rings is 75.85?(7)°. In the crystal, centrosymmetrically related mol-ecules are weakly associated through pairs of inter-actions between a benzene ring and an O atom of the ester group [ring centroid?O = 3.952?(7)?Å], and through pairs of inter-actions between the other benzene ring and an O atom of the phen-oxy group [ring centroid?O = 3.912?(7)?Å], giving chains extending along [110].

| S-EPMC3648312 | biostudies-literature

Ethyl 4-[(4-chloro-phen-oxy)meth-yl]-2-(4-nitro-phen-yl)-1,3-thia-zole-5-carboxyl-ate.

Project description:The title compound, C(19)H(15)ClN(2)O(5)S, contains two mol-ecules (A and B) in the asymmetric unit. In mol-ecule A, the dihedral angles between the thia-zole ring and the pendant chloro-benzene and nitro-benzene rings are 72.14 (15) and 3.03 (15)°, respectively. The corresponding angles for mol-ecule B are 45.56 (16) and 1.51 (14)°, respectively. In the crystal, both mol-ecules form inversion dimers linked by pairs of weak C-H⋯O inter-actions.

| S-EPMC3239066 | biostudies-literature

3-Hydr-oxy-4-nitro-phenyl acetate.

Project description:In the mol-ecule of the title compound, C(8)H(7)NO(5), the acetate group is oriented with respect to the aromatic ring at a dihedral angle of 85.30 (3)°. An intra-molecular O-H⋯O hydrogen bond results in the formation of a non-planar six-membered ring, adopting an envelope conformation. In the crystal structure, inter-molecular C-H⋯O hydrogen bonds link the mol-ecules.

| S-EPMC2967961 | biostudies-literature

Ethyl N-[2-(4-phen-oxy-phen-oxy)eth-yl]carbamate.

Project description:The title compound, C(17)H(19)NO(4), which is a non-toxic insect growth regulator with the common name fenoxycarb, contains two independent and conformationally different mol-ecules in the asymmetric unit. Although the inter-ring dihedral angles are similar [62.21?(15) and 63.00?(14)°], the side-chain orientations differ. In the crystal, the mol-ecules are linked through N-H?O hydrogen-bonding associations, giving chains which extend along [110], while intra- and inter-molecular aromatic C-H?? inter-actions give sheet structures parallel to [110].

| S-EPMC3470196 | biostudies-literature

Ethyl 2-[(<i>E</i>)-({2,4-dimeth-oxy-6-[2-(4-meth-oxy-phen-yl)ethen-yl]benzyl-idene}amino)-oxy]acetate.

Project description:In the title compound, C22H25NO6, the C=C double bond linking the benzene rings adopts an E configuration and the dihedral angle between the rings is 47.1 (2)°. The oxime unit contains a C=N double bond, which also has an E configuration. In the crystal, pairs of C-H⋯N hydrogen bonds generate inversion dimers and weak C-H⋯O inter-actions link the dimers into chains propagating along the b-axis direction.

| S-EPMC9462370 | 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