Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Methyl N-hy-droxy-N-(2-methyl-phen-yl)carbamate.

ABSTRACT: There are three independent mol-ecules in the asymmetric unit of the title compound, C(9)H(11)NO(3), which are connected by O-H?O hydrogen bonds, forming an R(3) (3)(15) ring. The dihedral angles between the planes of the benzene and amide groups are 75.16?(3), 71.47?(3) and 70.56?(3)°. The hy-droxy O atom lies 0.912?(3), 1.172?(2) and 1.339?(2)?Å from the mean plane of the corresponding benzene ring in the three mol-ecules.

SUBMITTER: Zhang B

PROVIDER: S-EPMC3569764 | biostudies-literature | 2013 Feb

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

Methyl N-hy-droxy-N-(2-methyl-phen-yl)carbamate.

Zhang Binbin B Wang Yifeng Y Dong Kun K Xu Danqian D

Acta crystallographica. Section E, Structure reports online 20130112 Pt 2

There are three independent mol-ecules in the asymmetric unit of the title compound, C(9)H(11)NO(3), which are connected by O-H⋯O hydrogen bonds, forming an R(3) (3)(15) ring. The dihedral angles between the planes of the benzene and amide groups are 75.16 (3), 71.47 (3) and 70.56 (3)°. The hy-droxy O atom lies 0.912 (3), 1.172 (2) and 1.339 (2) Å from the mean plane of the corresponding benzene ring in the three mol-ecules. ...[more]

PMID: 23424510

Similar Datasets

(4-Hy-droxy-3,5-di-methyl-phen-yl)(phen-yl)methanone.

Project description:In the mol-ecule of the title compound, C15H14O2, the dihedral angle between the benzene and phenyl rings is 61.27?(8)°. In the crystal, O-H?O and weak C-H?O hydrogen bonds link the mol-ecules into chains extending along the c-axis direction.

| S-EPMC3884333 | biostudies-literature

(4-Fluoro-phen-yl)(4-hy-droxy-3-methyl-phen-yl)methanone.

Project description:In the title compound, C14H11FO2, the two benzene rings are not coplanar, with a dihedral angle of 57.45?(12)° between their planes. In the crystal, mol-ecules are linked by an O-H?O hydrogen bond, forming a 21 helical chain along the b axis.

| S-EPMC3914103 | biostudies-literature

(4-Fluoro-phen-yl)(2-hy-droxy-5-methyl-phen-yl)methanone.

Project description:In the title compound, C14H11FO2, the dihedral angles beteen the central C3O ketone residue and the fluoro- and hy-droxy-substituted benzene rings are 50.44 (9) and 12.63 (10)°, respectively. The planes of the benzene rings subtend a dihedral angle of 58.88 (9)° and an intra-molecular O-H⋯O hydrogen bond closes an S(6) ring. No directional inter-actions beyond van der Waals packing contacts were identified in the crystal structure.

| S-EPMC3998389 | biostudies-literature

tert-Butyl N-{4-[N-(4-hy-droxy-phen-yl)carbamo-yl]benz-yl}carbamate.

Project description:In the title compound, C(19)H(22)N(2)O(4), the dihedral angle between the aromatic rings is 67.33 (2)°. In the crystal, mol-ecules are linked through N-H⋯O and O-H⋯O hydrogen bonds, generating a two-dimensional network lying parallel to (100). As a result of the twist of the mol-ecular skeleton and the hindrance of the tert-butyl groups, no π-π inter-actions exist between the aromatic rings.

| S-EPMC3470377 | biostudies-literature

2-Hy-droxy-N-(4-methyl-phen-yl)benzamide.

Project description:In the crystal structure of the title compound, C(14)H(13)NO(2), the mol-ecules are approximately planar, the r.m.s. deviation for all non-H atoms being 0.0435 Å; the dihedral angle between the two rings is 3.45 (12)°. The planarity is accounted for in terms of the presence of intra-molecular N-H⋯O and C-H⋯O hydrogen bonding, each of which completes an S(6) ring motif. The mol-ecules are stabilized in the form of supra-molecular chains extending along the crystallographic c axis due to inter-molecular O-H⋯O and C-H⋯O hydrogen bonding; each type leads to an R(2) (1)(6) ring motif.

| S-EPMC3200594 | biostudies-literature

(E)-1-{2-Hy-droxy-5-[(4-methyl-phen-yl)diazen-yl]phen-yl}ethanone.

Project description:The structure of the title compound, C(15)H(14)N(2)O(2), an azo dye, displays a trans configuration with respect to the N=N bridge. The dihedral angle between the aromatic rings is 5.06 (8)°. The mol-ecular conformation is stabilized by a strong intra-molecular O-H⋯O hydrogen bond. In the crystal, inter-molecular C-H⋯O hydrogen bonds occur.

| S-EPMC3051465 | biostudies-literature

N-(2-Hy-droxy-phen-yl)-4-methyl-benzene-sulfonamide.

Project description:In the title compound, C13H13NO3S, the dihedral angle between the benzene rings is 64.15 (7)° and the C-S-N-C torsion angle is -57.18 (12)°. An intra-molecular N-H⋯O hydrogen bond closes an S(5) ring. In the crystal, O-H⋯O hydrogen bonds link the mol-ecules into C(8) chains propagating in [100]. Weak C-H⋯π inter-actions are also observed.

| S-EPMC3914092 | biostudies-literature

2-{[(4-{[(2-Hy-droxy-phen-yl)(phen-yl)methyl-idene]amino}-phen-yl)imino](phen-yl)meth-yl}phenol.

Project description:The title mol-ecule, C(32)H(24)N(2)O(2), has a crystallographically imposed inversion centre and exists in the crystal as an enol-imine tautomer. The mol-ecular structure is stabilized by two strong intra-molecular O-H⋯N hydrogen bonds. The dihedral angles between the central benzene ring and the mean planes of the phenyl substituents are 59.99 (1) and 62.79 (2)°. In the crystal, the mol-ecules are arranged into (010) layers via C-H⋯π inter-actions.

| S-EPMC3238908 | biostudies-literature

[3-Hy-droxy-methyl-1,4-bis-(4-methyl-phen-yl)naphthalen-2-yl]methanol.

Project description:In the title compound, C(26)H(24)O(2), the crowded naphthalene ring system is essentially planar [maximum deviation of 0.027 (2) Å for one of the C atoms of the unsubstituted ring]. In the crystal, mol-ecules are connected by O-H⋯O hydrogen bonds into chains along the a axis. Pairs of the oppositely oriented chains are further cross-linked by O-H⋯O hydrogen bonds, forming infinte bands of alternating R(4) (4)(8) dimers and R(2) (2)(14) motifs.

| S-EPMC3099979 | biostudies-literature

4-[(Hy-droxy)(4-methyl-phen-yl)methyl-idene]isochroman-1,3-dione.

Project description:In the title compound, C(17)H(12)O(4), the six-membered heterocyclic ring adopts a distorted screw-boat conformation. The mol-ecular structure exhibits an S(6) ring motif, owing to an intra-molecular O-H⋯O hydrogen bond. In the crystal, weak C-H⋯O contacts generate an infinite chain along the c axis. There are also π-π stacking inter-actions between neighbouring isochromanedione benzene rings, with a centroid-centroid distance of 3.755 (1) Å, and C-O⋯π inter-actions with an O⋯centroid distance of 3.964 (2) Å.

| S-EPMC3254283 | 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