Browse
Submit Data
Databases
API
Help

Dataset Information

23 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

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

ABSTRACT: 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.

SUBMITTER: Arshad M

PROVIDER: S-EPMC3470382 | biostudies-literature | 2012 Oct

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

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

Arshad Muhammad M Yousuf Sammer S Saeed Sumayya S Basha Fatima Z FZ

Acta crystallographica. Section E, Structure reports online 20120929 Pt 10

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 ...[more]

PMID: 23125795

Similar Datasets

1-(2-Meth-oxy-phen-yl)-2-{[2-(2-meth-oxy-phen-yl)hydrazinyl-idene](nitro)-meth-yl}diazene.

Project description:In the title compound, C(15)H(15)N(5)O(4), a nitro-formazan derivative, the formazan unit is essentially planar with an r.m.s. deviation of 0.0204?(6)?Å and adopts a closed syn,s-cis configuration with an intra-molecular N-H?N hydrogen bond. The formazan plane makes dihedral angles of 4.32?(5) and 24.35?(5)° with the benzene rings. The dihedral angle between the formazan plane and the nitro group is 12.58?(8)°. In the crystal, C-H?O inter-actions connect the mol-ecules into an inversion dimer.

| S-EPMC3295411 | biostudies-literature

N-(4-Methyl-phen-yl)-N-{[(2-nitro-phen-yl)acet-yl]-oxy}benzamide.

Project description:In the title mol-ecule, C(22)H(18)N(2)O(5), the nitro-substituted benzene ring makes dihedral angles of 71.56?(1)° with the benzoyl ring and 16.28?(1)° with the methyl-substituted benzene ring. The crystal structure features C-H?O inter-actions, which generate chains.

| S-EPMC3470341 | 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

N-{2-[4-(2-Meth-oxy-phen-yl)piperazin-1-yl]eth-yl}-4-nitro-N-(2-pyrid-yl)benzamide.

Project description:In the title compound, C(25)H(27)N(5)O(4), the piperizine ring adopts a chair conformation. The dihedral angles between the pyridine ring and the two benzene rings are 65.5?(4) and 70.7?(4)°, while the dihedral angle between the two benzene rings is 17.3?(3)°. An intra-molecular C-H?O hydrogen bond occurs.

| S-EPMC2983282 | biostudies-literature

N-[(2-Chloro-phen-yl)sulfon-yl]-2-meth-oxy-benzamide.

Project description:The title compound, C14H12ClNO4S, crystallizes with two mol-ecules in the asymmetric unit. The dihedral angles between the benzene rings are 89.68?(1) (mol-ecule 1) and 82.9?(1)° (mol-ecule 2). In each mol-ecule, intra-molecular N-H?O hydrogen bonds between the amide H atom and the meth-oxy O atom generate S(6) loops. In the crystal, mol-ecule 2 is linked into inversion dimers through pairs of C-H?O inter-actions, forming an R 2 (2)(8) ring motif. Mol-ecules 1 and 2 are further linked along the b-axis direction through C-H?? inter-actions. The crystal structure is further stabilized by several ?-? stacking inter-actions [centroid-centroid separations = 3.7793?(1), 3.6697?(1) and 3.6958?(1)?Å], thus generating a three-dimensional architecture.

| S-EPMC3884364 | biostudies-literature

2-[(4-Meth-oxy-2-nitro-phen-yl)imino-meth-yl]phenol.

Project description:The crystal structure of the title compound, C(14)H(12)N(2)O(4), contains four crystallographically independent mol-ecules in the asymmetric unit. All the mol-ecules have similar conformations; the dihedral angles between the aromatic rings are 33.1?(1), 33.76?(9), 31.41?(9) and 32.56?(10)°. Intra-molecular O-H?N hydrogen bonds form S(6) ring motifs in each molecule. In the crystal, there are two pairs of pseudo-inversion-related mol-ecules. Along the c axis, mol-ecules are stacked with ?-? inter-actions between the 2-hy-droxy-phenyl and 4-meth-oxy-2-nitro-phenyl rings [centroid-centroid distances = 3.5441?(12)-3.7698?(12)?Å].

| S-EPMC3414359 | biostudies-literature

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

Project description:In the title compound, C(14)H(11)BrN(2)O(4), the amide segment makes dihedral angles of 23.4?(2) and 20.5?(2)° with the benzene rings, while the dihedral angle between the bezene rings is 2.90?(8)°. The nitro and meth-oxy groups are almost coplanar with their bound benzene ring, with the r.m.s. deviation for the 11 non-H atoms being 0.0265?(1)?Å. An intra-molecular N-H?O hydrogen bond generates an S(6) ring motif. In the crystal, mol-ecules are linked into [2-10] chains by weak C-H?O and C-H?Br inter-actions, which form an R(2) (2)(8) motif between pairs of mol-ecules in the chain. A Br?O [3.2018?(12)?Å] short contact also occurs.

| S-EPMC3344164 | biostudies-other

Diethyl [hydr-oxy(2-nitro-phen-yl)-meth-yl]phospho-nate.

Project description:In the title mol-ecule, C(11)H(16)NO(6)P, the nitro group is twisted out of the mean plane of the benzene ring at 29.91?(3)°. The two ethyl groups are disordered between two orientations in the ratios 0.784?(7)/0.216?(7) and 0.733?(6)/0.267?(6). Inter-molecular O-H?O hydrogen bonds link the mol-ecules into centrosymmetric dimers.

| S-EPMC2915213 | biostudies-literature

Dimethyl [hydr-oxy(2-nitro-phen-yl)meth-yl]phospho-nate.

Project description:In the title compound, C(9)H(12)NO(6)P, intra-molecular C-H?O hydrogen bonds form five- and six-membered rings. In the crystal, inversion dimers lined by pairs of C-H?O hydrogen bonds occur with ring motifs R(2) (2)(10). The O atom of the hydr-oxy group behaves as an accepter and the benzene ring as donor. Adjacent dimers are connected through O-H?O links.

| S-EPMC2968685 | 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