Browse
Submit Data
Databases
API
Help

Dataset Information

30 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

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

ABSTRACT: 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.

SUBMITTER: Guo B

PROVIDER: S-EPMC3051587 | biostudies-literature | 2011 Jan

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

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

Guo Bing B Shi Ya-Bin YB Yao Jin-Hua JH Guan Jian-Ning JN

Acta crystallographica. Section E, Structure reports online 20110129 Pt 2

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. ...[more]

PMID: 21523160

Similar Datasets

Ethyl 2-(3-amino-4-hy-droxy-phen-yl)acetate.

Project description:The asymmetric unit of the title compound, C(10)H(13)NO(3), contains two crystallographically independent mol-ecules with different conformations of the eth-oxy-carbonyl groups; the terminal C-C-O-C torsion angles in the two mol-ecules are 83.6?(6) and -171.1?(3)°, resulting in twisted and straight chain conformations, respectively. The crystal structure is stabilized by inter-molecular N-H?O, O-H?N and C-H?O hydrogen bonds. Intra-molecular hydrogen bonds occur between the amino N and phenolic O atoms.

| S-EPMC3011596 | biostudies-literature

Ethyl (2Z)-3-hy-droxy-3-(4-nitro-phen-yl)prop-2-enoate.

Project description:The title compound, C11H11NO5, is essentially planar, with an r.m.s. deviation of 0.06?Å. The mol-ecular structure is stabilized by an intra-molecular O-H?O hydrogen bond. In the crystal, molecules are linked by two pairs of C-H?O hydrogen bonds, forming sheets, lying parallel to (101), which enclose R 4 (4)(26) ring motifs.

| S-EPMC4120527 | biostudies-literature

4-Hy-droxy-N'-[1-(2-hy-droxy-phen-yl)ethyl-idene]benzohydrazide.

Project description:In the title compound, C(15)H(14)N(2)O(3), there is an intra-molecular O-H?N hydrogen bond and the dihedral angle between the two aromatic rings is 13.9?(3)°. In the crystal structure, mol-ecules are stabilized by inter-molecular O-H?O and N-H?O hydrogen bonds.

| S-EPMC2979514 | biostudies-literature

N'-[(E)-1-(5-Bromo-2-hy-droxy-phen-yl)ethyl-idene]-4-nitro-benzohydrazide.

Project description:The title compound, C(15)H(12)BrN(3)O(4), displays a trans conformation with respect to the C=N double bond. The central atoms around the C=N double bond are not coplanar, in contrast to the aromatic rings, which exhibit a dihedral angle of 1.80?(4)° between their mean planes. An intra-molecular O-H?N hydrogen bond occurs. In the crystal, mol-ecules are connected via inter-molecular N-H?O hydrogen bonding into chains along the a axis.

| S-EPMC3152073 | biostudies-literature

N-(4-Hy-droxy-phen-yl)-4-nitro-benzamide.

Project description:The mol-ecular structure of the title compound, C13H10N2O4, shows an almost planar conformation as the benzene rings make a dihedral angle of 2.31?(7)°. The nitro group lies in plane with the benzamide ring, with a C-C-N-O torsion angle of 0.6?(2)°. In the crystal, N-H?O and O-H?O hydrogen bonds link mol-ecules into sheets stacked along [10-1].

| S-EPMC3629581 | biostudies-literature

5-Hy-droxy-2-{(E)-[(3-nitro-phen-yl)iminio]meth-yl}phenolate.

Project description:The title compound, C(13)H(10)N(2)O(4), crystallized as the zwitterionic tautomer. As a result, the phenolate C-O(-) bond [1.296?(2)?Å] is shorter than a normal Csp(2)-O(H) bond, and the azomethine C=N bond [1.314?(2)?Å] is longer than a normal C=N double bond. The mol-ecule is nearly planar, the mean plane of the nitro-substituted benzene ring forming dihedral angles of 9.83?(7) and 8.45?(9)° with the other benzene ring and with the nitro group, respectively. The mol-ecular conformation is stabilized by an intra-molecular N-H?O hydrogen bond. In the crystal, strong O-H?O hydrogen bonds link the mol-ecules into double-stranded chains along the b-axis direction. Within the chains there are ?-? interactions involving the benzene rings of adjacent molecules [centroid-centroid distance = 3.669?(1)?Å]. The chains are linked via C-H?O hydrogen bonds, forming R(2) (1)(6), R(2) (1)(7) and R(2) (2)(10) ring motifs.

| S-EPMC3435650 | biostudies-literature

Ethyl [(benzyl-aza-nium-yl)(2-hy-droxy-phen-yl)meth-yl]phospho-nate.

Project description:The title compound, C(16)H(20)NO(4)P, crystallizes as a zwitterion. In the mol-ecule, the two aromatic rings form a dihedral angle of 55.2?(1)°. In the crystal, inter-molecular N-H?O and O-H?O hydrogen bonds link the mol-ecules into columns propagating in [010].

| S-EPMC3213461 | biostudies-literature

N-(2-Hy-droxy-5-nitro-phen-yl)methane-sulfonamide ethanol monosolvate.

Project description:In the title compound, C(7)H(8)N(2)O(5)S·C(2)H(6)O, the dihedral angle between the aromatic ring and the nitro group is 8.78?(9)° and the S atom is displaced by 0.226?(3)?Å from the plane of the aromatic ring. In the crystal, the ethanol mol-ecule is involved in hydrogen bonding to two separate sulfonamide mol-ecules, as a donor in an O-H?O inter-action and as an acceptor in an N-H?O inter-action. Weak C-H?O hydrogen bonding is also present.

| S-EPMC3120320 | biostudies-literature

Crystal structure of ethyl 2-{2-[(1Z)-1-hy-droxy-3-(4-nitro-phen-yl)-3-oxoprop-1-en-1-yl]phen-oxy}acetate.

Project description:The title compound, C19H17NO7, crystallized in a ratio of about 6:4 of the two possible keto-enol forms. This was observed as disorder over the central C3H2O2 unit. The dihedral angle between the rings is 8.2?(2)°.The mol-ecules pack by C-H?O interactions in a layered fashion parallel to (-104).

| S-EPMC4719879 | biostudies-other

Crystal structures of butyl 2-amino-5-hy-droxy-4-(4-nitro-phen-yl)benzo-furan-3-carboxyl-ate and 2-meth-oxy-ethyl 2-amino-5-hy-droxy-4-(4-nitro-phen-yl)benzo-furan-3-carboxyl-ate.

Project description:The title benzo-furan derivatives 2-amino-5-hy-droxy-4-(4-nitro-phen-yl)benzo-furan-3-carboxyl-ate (BF1), C19H18N2O6, and 2-meth-oxy-ethyl 2-amino-5-hy-droxy-4-(4-nitro-phen-yl)benzo-furan-3-carboxyl-ate (BF2), C18H16N2O7, recently attracted attention because of their promising anti-tumoral activity. BF1 crystallizes in the space group P . BF2 in the space group P21/c. The nitro-phenyl group is inclined to benzo-furan moiety with a dihedral angle between their mean planes of 69.2 (2)° in BF1 and 60.20 (6)° in BF2. A common feature in the mol-ecular structures of BF1 and BF2 is the intra-molecular N-H⋯Ocarbon-yl hydrogen bond. In the crystal of BF1, the mol-ecules are linked head-to-tail into a one-dimensional hydrogen-bonding pattern along the a-axis direction. In BF2, pairs of head-to-tail hydrogen-bonded chains of mol-ecules along the b-axis direction are linked by O-H⋯Ometh-oxy hydrogen bonds. In BF1, the butyl group is disordered over two orientations with occupancies of 0.557 (13) and 0.443 (13).

| S-EPMC6658937 | 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