Browse
Submit Data
Databases
API
Help

Dataset Information

18 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

2-Bromo-N-(2-hy-droxy-5-methyl-phen-yl)-2-methyl-propanamide.

ABSTRACT: In the title mol-ecule, C(11)H(14)BrNO(2), there is twist between the mean plane of the amide group and the benzene ring [the C-N-C-C torsion angle is -172.1?(2)°]. The amide H atom forms an intra-molecular hydrogen bond with the Br atom. In the crystal, inter-molecular O-H?O and weak C-H?O hydrogen bonds link mol-ecules into a chain along [100].

SUBMITTER: Moreno-Fuquen R

PROVIDER: S-EPMC3200793 | biostudies-literature | 2011 Sep

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

2-Bromo-N-(2-hy-droxy-5-methyl-phen-yl)-2-methyl-propanamide.

Moreno-Fuquen Rodolfo R Quintero David E DE Zuluaga Fabio F Grande Carlos C Kennedy Alan R AR

Acta crystallographica. Section E, Structure reports online 20110827 Pt 9

In the title mol-ecule, C(11)H(14)BrNO(2), there is twist between the mean plane of the amide group and the benzene ring [the C-N-C-C torsion angle is -172.1 (2)°]. The amide H atom forms an intra-molecular hydrogen bond with the Br atom. In the crystal, inter-molecular O-H⋯O and weak C-H⋯O hydrogen bonds link mol-ecules into a chain along [100]. ...[more]

PMID: 22065656

Similar Datasets

2-Bromo-N-(4-chloro-phen-yl)-2-methyl-propanamide.

Project description:In the title mol-ecule, C(10)H(11)BrClNO, there is a twist between the mean plane of the amide group and the benzene ring [C(=O)-N-C-C torsion angle = -27.1?(3)°]. In the crystal, inter-molecular N-H?O and weak C-H?O hydrogen bonds link the mol-ecules into chains along [010].

| S-EPMC3201238 | biostudies-literature

2-Bromo-2-methyl-N-(4-nitro-phen-yl)propanamide.

Project description:The title compound, C(10)H(11)BrN(2)O(3), exhibits a small twist between the amide residue and benzene ring [the C-N-C-C torsion angle = 12.7 (4)°]. The crystal structure is stabilized by weak N-H⋯O, C-H⋯Br and C-H⋯O inter-actions. These lead to supra-molecular layers in the bc plane.

| S-EPMC3051943 | biostudies-literature

N-Hexyl-3-(4-hy-droxy-3,5-dimeth-oxy-phen-yl)propanamide.

Project description:In the title compound, C(17)H(27)NO(4), which is an hydro-sinapic acid derivative with increased lipophilicity conferred by an additional alkyl chain, the central and the hexyl linear chains contain slightly shorter bond lengths [C-N = 1.316?(2)?Å; average linear chain C-C = 1.487?(6)?Å] than reported average values [Csp(2)-N = 1.334, C-C for CH(2)-CH(2) = 1.524 and 1.513?Å for CH(2)-CH(3)]. The 4-hy-droxy-3,5-dimeth-oxy-phenyl plane [r.m.s. deviation 0.055?(12)?Å] makes an angle of 59.89?(5)° with the central plane of the mol-ecule (composed of the N atom, the carbonyl group and the two methyl-ene C atoms linking the carbonyl group and the ring, [r.m.s. deviation 0.0026?(10)?Å], which, in turn, makes an angle of 64.24?(13)° with the essentially planar hexyl chain [r.m.s. deviation 0.035?(18)?Å]. The N-H group of the amide group is involved in a bifurcated hydrogen bond towards the hy-droxy and one of the meth-oxy O atoms of the 4-hy-droxy-3,5-dimeth-oxy-phenyl substituent of a neighbouring mol-ecule, forming a two-dimensional network in the (100) plane. In addition, the same hy-droxy group acts as a donor towards the carbonyl O atom of another neighbouring mol-ecule, forming chains running along the b axis.

| S-EPMC3379212 | biostudies-literature

(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

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

Project description: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.

| S-EPMC3569764 | 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

2-(4-Bromo-phen-yl)-2-oxoethyl 4-hy-droxy-benzoate.

Project description:In the title compound, C(15)H(11)BrO(4), the dihedral angle between the aromatic rings is 66.77?(8)°. In the crystal, O-H?O, C-H?Br and C-H?O hydrogen bonds link the mol-ecules, forming layers lying parallel to (101). The crystal packing is further consolidated by C-H?? inter-actions and ?-? stacking inter-actions [centroid-centroid distance = 3.5476?(7)?Å].

| S-EPMC3247591 | biostudies-literature

(5-Bromo-2-hy-droxy-phen-yl)(4-propyl-cyclo-hex-yl)methanone.

Project description:In the title compound, C(16)H(21)BrO(2), the cyclo-hexane ring adopts a chair conformation. The hy-droxy and carbonyl groups are involved in an intra-molecular O-H?O hydrogen bond. In the crystal, weak C-H?O inter-actions link the mol-ecules into zigzag chains along [010].

| S-EPMC3344119 | 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