Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

N-(3,5-Dimeth-oxy-phen-yl)benzamide.

ABSTRACT: The title compound, C(15)H(15)NO(3), was prepared by stirring benzoyl chloride with 3,5-dimeth-oxy-aniline in dioxane at ambient temperature. The dimeth-oxy-phen-yl-amide segment of the mol-ecule is almost planar, with a C-N-C=O torsion angle of -4.1?(4)°. The two benzene rings are inclined at an angle of 76.66?(13)°. In the crystal, inter-molecular N-H?O inter-actions generate centrosymmetric dimers..

SUBMITTER: Li HL

PROVIDER: S-EPMC3152108 | biostudies-literature | 2011 Jul

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

N-(3,5-Dimeth-oxy-phen-yl)benzamide.

Li Hong-Lei HL Cui Jiang-Tao JT

Acta crystallographica. Section E, Structure reports online 20110611 Pt 7

The title compound, C(15)H(15)NO(3), was prepared by stirring benzoyl chloride with 3,5-dimeth-oxy-aniline in dioxane at ambient temperature. The dimeth-oxy-phen-yl-amide segment of the mol-ecule is almost planar, with a C-N-C=O torsion angle of -4.1 (4)°. The two benzene rings are inclined at an angle of 76.66 (13)°. In the crystal, inter-molecular N-H⋯O inter-actions generate centrosymmetric dimers.. ...[more]

PMID: 21837004

Similar Datasets

4-Hy-droxy-3,5-dimeth-oxy-N-{4-[(5-methyl-1,2-oxazol-3-yl)sulfamo-yl]phen-yl}benzamide methanol monosolvate.

Project description:The title compound, C(19)H(19)N(3)O(7)S·CH(3)OH, was synthesized from syringic acid and sulfamethoxazole. The benzene rings make a dihedral angle of 41.8?(1)° and the isoxazole ring is twisted by 74.3?(1)° from the central benzene ring. The crystal packing features O-H?O and O-H?N hydrogen bonds in which the hy-droxy groups from the main mol-ecule and methanol solvent mol-ecules serve as donor groups.

| S-EPMC3275057 | biostudies-literature

4,4'-Bis[2-(3,5-dimeth-oxy-phen-yl)ethen-yl]biphen-yl.

Project description:The title compound, C(32)H(30)O(4), crystallizes with three different conformers of the same mol-ecule in the asymmetric unit, which explains the unusually large unit cell volume. The supra-molecular structure is based on inter-actions involving the meth-oxy groups [C⋯O contacts between 3.090 (2) and 3.204 (2) Å, and C-H⋯O contacts between (normalized) 2.40 and 2.71 Å], π-π stacking of the electron-rich meth-oxy-substituted rings [centroid-centroid distances of 3.6454 (9)-3.738 (1) Å] and C-H⋯π contacts (normalized, 2.62-2.97Å).

| S-EPMC3089291 | biostudies-literature

1-(2-Hy-droxy-3,5-dimeth-oxy-phen-yl)ethanone.

Project description:In title compound, C(10)H(12)O(4), all of the non-H atoms lie approximately in a plane with the largest deviation being 0.061?(2)?Å. An intra-molecular O-H?O hydrogen bond generates an S(6) ring motif. No classical inter-molecular hydrogen bonding occurs, with only van der Waals forces stabilizing the crystal structure.

| S-EPMC3254463 | biostudies-literature

(3,5-Dimethyl-phen-yl)[8-(3,5-dimethyl-benzo-yl)-2,7-dimeth-oxy-naphthalen-1-yl]methanone.

Project description:In the title mol-ecule, C(30)H(28)O(4), the inter-planar angle between the two benzene rings of the 3,5-dimethyl-benzoyl groups is 50.35?(7)°. The dihedral angles between the two benzene rings and the naphthalene ring system are 81.87?(6) and 83.55?(6)°. In addition, the conformations of the pairs of methyl groups and their counterparts differ from each other though their environment is very similar. In the crystal, weak C-H?O inter-actions occur.

| S-EPMC3344137 | biostudies-literature

3,5-Dimeth-oxy-2-[(4-propyl-phen-yl)imino-meth-yl]phenol.

Project description:The title compound, C(18)H(21)NO(3), crystallizes in the phenol-imine tautomeric form, with the H atom attached to oxygen rather than on nitro-gen. This H atom is involved in a strong intra-molecular O-H⋯N hydrogen bond. A C-H⋯π inter-action is also present. The dihedral angle between the aromatic rings is 12.23 (7)°.

| S-EPMC2968940 | biostudies-literature

1-(3,5-Dimeth-oxy-phen-yl)-2-(4-fluoro-phen-yl)-4,5-dimethyl-1H-imidazole.

Project description:In the title compound, C(19)H(19)FN(2)O(2), the imidazole ring is essentially planar [maximum deviation = 0.0030 (8) Å] and makes dihedral angles of 66.45 (7) and 29.98 (7)° with the benzene rings attached to the ring N and C atoms, respectively. The dihedral angle between the two benzene rings is 64.79 (7)°. A C-H⋯π inter-action is found in the crystal structure. The two meth-oxy groups were found to be disordered over two sets of sites with occupancy factors of 0.803 (4) and 0.197 (4). The F atom is disordered over two sites with occupancy factors of 0.929 (4) and 0.071 (4).

| S-EPMC3274949 | biostudies-literature

(E)-3-(3,5-Dimeth-oxy-phen-yl)-1-(2-meth-oxy-phen-yl)prop-2-en-1-one.

Project description:In the title mol-ecule, C18H18O4, the dihedral angle between the benzene rings is 52.52 (7)°. The C=C bond of the central enone group adopts a trans conformation. The relative conformation of the two double bonds in the enone group is s-transoid. In the crystal, mol-ecules are linked by pairs of weak C-H⋯O hydrogen bonds, forming inversion dimers.

| S-EPMC3629573 | biostudies-literature

Crystal structure of 2,3-dimeth-oxy-N-(4-nitro-phen-yl)benzamide.

Project description:In the title compound, C15H14N2O5, the benzene rings are nearly coplanar, making a dihedral angle of 4.89 (8)°. An intra-molecular N-H⋯O hydrogen bond occurs between the imino and meth-oxy groups. In the crystal, weak C-H⋯O hydrogen bonds link the mol-ecules into supra-molecular chains propagating along the a-axis direction. π-π stacking is observed between parallel benzene rings of neighbouring chains, the centroid-to-centroid distance being 3.6491 (10) Å. Three-dimensional Hirshfeld surface analyses and two-dimensional fingerprint plots have been used to analyse the inter-molecular inter-actions present in the crystal.

| S-EPMC5778482 | 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

(E)-1-(3,5-Difluoro-phen-yl)-3-(2,4-dimeth-oxy-phen-yl)prop-2-en-1-one.

Project description:The title compound, C(17)H(14)F(2)O(3), is approximately planar, the dihedral angle between the rings being 5.46?(2)°. The H atoms of the central propenone group are trans. The crystal structure is stabilized by inter-molecular C-H?F hydrogen bonds.

| S-EPMC2983274 | 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