Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

4-Meth-oxy-N-methyl-benzamide.

ABSTRACT: In the title compound, C(9)H(11)NO(2), the dihedral angle between the amide group and the benzene ring is 10.6?(1)°. In the crystal, mol-ecules are connected via N-H?O hydrogen bonds, supported by a C-H?O contact, forming chains along b. These chains are linked by C-H?? inter-actions to give a three-dimensional network.

SUBMITTER: Yuan J

PROVIDER: S-EPMC3295439 | biostudies-literature | 2012 Mar

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

4-Meth-oxy-N-methyl-benzamide.

Yuan Juan J Liu Yan-Ju YJ

Acta crystallographica. Section E, Structure reports online 20120210 Pt 3

In the title compound, C(9)H(11)NO(2), the dihedral angle between the amide group and the benzene ring is 10.6 (1)°. In the crystal, mol-ecules are connected via N-H⋯O hydrogen bonds, supported by a C-H⋯O contact, forming chains along b. These chains are linked by C-H⋯π inter-actions to give a three-dimensional network. ...[more]

PMID: 22412550

Similar Datasets

4-Meth-oxy-N-(4-meth-oxy-2-nitro-phen-yl)benzamide.

Project description:In the title compound, C(15)H(14)N(2)O(5), the central amide C-C(=O)-N-C unit forms dihedral angles of 28.17?(13) and 26.47?(13)° with the two benzene rings, whereas the two benzene rings are almost coplanar, making a dihedral angle of 4.52?(13)°. The two meth-oxy and the nitro substituents are almost coplanar with their attached benzene rings, with C-O-C-C torsion angles of -1.3?(4) and -4.6?(4)°, and an O-N-C-C torsion angle of 17.1?(3)°. In the crystal, mol-ecules are linked via C-H?O and N-H?O inter-actions, forming a tape running along the b axis.

| S-EPMC3470382 | biostudies-literature

3-Hy-droxy-2-meth-oxy-benzamide.

Project description:The crystal structure of the title compound, C8H9NO3, features centrosymmetric dimers with two amide groups inter-connected by a pair of almost linear N-H⋯O hydrogen bonds. Through inter-molecular O-H⋯O inter-actions between phenolic hy-droxy groups and carbonyl O atoms, these dimers are assembled into undulating hydrogen-bonded layers parallel to the [101] plane. Additionally, the anti-H(-N) atom of the primary amide group forms an intra-molecular hydrogen bond to the O atom of the meth-oxy group. The amide group froms a dihedral angle of 12.6 (1)° with the phenyl ring.

| S-EPMC3589065 | biostudies-literature

N-[(Methyl-sulfan-yl)meth-yl]benzamide.

Project description:In the title compound, C(9)H(11)NOS, the phenyl ring and formamide unit make a dihedral angle of 23.93 (14)°, whereas the (methyl-sulfan-yl)methyl group is oriented at a dihedral angle of 61.31 (8)° with respect to the phenyl ring. There are inter-molecular N-H⋯O hydrogen bonds, forming C(4) chains along the [010] direction. These polymeric chains are linked by C-H⋯O hydrogen bonds to form polymeric sheets in the (110) plane.

| S-EPMC3295445 | biostudies-literature

N-(4-Chloro-phen-yl)-4-meth-oxy-benzamide.

Project description:In the title compound, C(14)H(12)ClNO(2), the mean plane through the amide group [-N-C=O-] forms dihedral angles of 27.55?(8) and 31.94?(7)° with the meth-oxy- and chloro-substituted benzene rings, respectively. The dihedral angle between the benzene rings is 59.24?(4)°. In the crystal, N-H?O and weak C-H?O hydrogen bonds link the mol-ecules into chains along the a axis.

| S-EPMC3515183 | biostudies-literature

2-Chloro-N-(4-meth-oxy-phen-yl)benzamide.

Project description:In the title compound, C(14)H(12)ClNO(2), the chloro- and meth-oxy-substituted benzene rings are close to orthogonal [dihedral angle = 79.20?(3)°]. These rings also make angles of 45.9?(3) and 33.5?(3)° with the amide -CONH- unit. The meth-oxy substituent lies close to the meth-oxy-benzene ring plane, with a maximum deviation of 0.142?(3)?Å for the methyl C atom. The N-H bond is anti to the 2-chloro substituent of the aniline ring. In the crystal structure, inter-molecular N-H?O hydrogen bonds form C(4) chains augmented by a weak C-H?O inter-action involving an ortho H atom of the meth-oxy benzene ring that generates an R(2) (1)(6) motif. The chains stack the mol-ecules into columns down the b axis. Adjacent columns are linked by additional C-H?O and C-H?? contacts, generating a three-dimensional network.

| S-EPMC3009019 | biostudies-literature

Crystal structure of 4-meth-oxy-N-phenyl-benzamide.

Project description:In the title mol-ecule, C14H13NO2, the dihedral angle between the planes of the benzene rings is 65.18 (4)°. The central amide group has about the same degree of twist with respect to both ring planes, as indicated by the dihedral angles of 34.70 (8) and 30.62 (8)° between its plane and that of the phenyl and 4-meth-oxy-benzene rings, respectively. The C atom of the meth-oxy group is close to being coplanar with its attached ring [deviation = -0.112 (2) Å]. In the crystal, mol-ecules are linked by inter-amide N-H⋯O hydrogen bonds, which generate C(4) chains propagating in the [100] direction. Adajcent mol-ecules in the chain are related by translational symmetry.

| S-EPMC4186206 | biostudies-literature

2-Meth-oxy-N-[(S)-3-methyl-butan-2-yl]-6-{[(S)-3-methyl-butan-2-yl]amino}-3,5-dinitro-benzamide.

Project description:The title compound, C(18)H(28)N(4)O(6), crystallizes with two mol-ecules in the asymmetric unit which differ slightly in conformation. The dihedral angle between the amide plane and the benzene ring are 72.6 (2) and 66.8 (2)° in the two mol-ecules. A strong intra-molecular N-H⋯O hydrogen bond between the amino and nitro groups occurs in each mol-ecule. The crystal structure features two symmetry-independent polymeric chains along [010] generated by N-H⋯O hydrogen bonds between the amide groups.

| S-EPMC3239106 | biostudies-literature

6-Meth-oxy-meth-oxy-7-trifluoro-methyl-1,3-benzodioxole-5-carbaldehyde.

Project description:The title compound, C(11)H(9)F(3)O(5), crystallizes with three mol-ecules in the asymmetric unit. One -CF(3) group is disordered by rotation, with the F atoms split over two sets of sites with occupancies which converged to 0.888 (6) and 0.112 (6). Weak π-π inter-actions are observed between adjacent benzene rings [the shortest centroid-centroid distance is 3.8858 (4) Å], resulting in the formation of a supra-molecular chain along [100].

| S-EPMC3393257 | biostudies-literature

Bis{?-2-meth-oxy-6-[(methyl-imino)-meth-yl]phenolato}bis-({2-meth-oxy-6-[(methyl-imino)-meth-yl]phenolato}copper(II)).

Project description:The title compound, [Cu2(C9H10NO2)4], is built of discrete centrosymmetric dimers. The Cu(II) atoms are each five coordinated by two deprotonated Schiff base ligands that are bonded differently to the metal atoms. Of the two phenolate O atoms, one is coordinated to one Cu(II) atom, whereas another bridges the two metal atoms. The basal plane of the square pyramid around Cu(II) atoms is formed by the imino N and phenolate O atoms of the bidentate and the monodentate/bidentate Schiff base ligands. The bridging phenolate oxygen occupies the apical position of the coordination sphere with a considerably longer Cu-O bond length. In the crystal, the dimeric mol-ecules pack relative to each other in such a way that the Cu2O2 planes of adjacent dimers are orthogonal.

| S-EPMC3790358 | biostudies-literature

Salvinorin B meth-oxy-methyl ether.

Project description:The title compound [MOM-SalB; systematic name: methyl (2S,4aR,6aR,7R,9S,10aS,10bR)-2-(3-fur-yl)-9-meth-oxy-meth-oxy-6a,10b-dimethyl-4,10-dioxo-2,4a,5,6,7,8,9,10a-octa-hydro-1H-benzo[f]isochromene-7-carboxyl-ate], C(23)H(30)O(8), is a deriv-ative of the ?-opioid salvinorin A with enhanced potency, selectivity, and duration of action. Superimposition of their crystal structures reveals, surprisingly, that the terminal C and O atoms of the MOM group overlap with the corresponding atoms in salvinorin A, which are separated by an additional bond. This counter-intuitive isosterism is possible because the MOM ether adopts the 'classic anomeric' conformation (gauche-gauche), tracing a helix around the planar acetate of salvinorin A. This overlap is not seen in the recently reported structure of the tetra-hydro-pyranyl ether, which is less potent. The classic anomeric conformation is strongly favoured in alk-oxy-methyl ethers, but not in substituted acetals, which may contribute to their reduced potency. This structure may prove useful in evaluating models of the activated ?-opioid receptor.

| S-EPMC3515309 | 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