Browse
Submit Data
Databases
API
Help

Dataset Information

17 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Crystal structure of 2-nitro-N-(2-nitro-phen-yl)benzamide.

ABSTRACT: In the title compound, C13H9N3O5, the mean plane of the non-H atoms of the central amide fragment C-N-C(=O)-C [r.m.s. deviation = 0.0442?Å] forms dihedral angles of 71.76?(6) and 24.29?(10)° with the C-bonded and N-bonded benzene rings, respectively. In the crystal, mol-ecules are linked by N-H?O hydrogen bonds forming C(4) chains along [100]. Weak C-H?O contacts link the mol-ecules into (100) sheets containing edge-fused R 4 (4)(30) rings. Together, the N-H?O and C-H?O hydrogen bonds generate a three-dimensional network.

SUBMITTER: Moreno-Fuquen R

PROVIDER: S-EPMC4459296 | biostudies-literature | 2015 Jun

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

Crystal structure of 2-nitro-N-(2-nitro-phen-yl)benzamide.

Moreno-Fuquen Rodolfo R Azcárate Alexis A Kennedy Alan R AR

Acta crystallographica. Section E, Crystallographic communications 20150509 Pt 6

In the title compound, C13H9N3O5, the mean plane of the non-H atoms of the central amide fragment C-N-C(=O)-C [r.m.s. deviation = 0.0442 Å] forms dihedral angles of 71.76 (6) and 24.29 (10)° with the C-bonded and N-bonded benzene rings, respectively. In the crystal, mol-ecules are linked by N-H⋯O hydrogen bonds forming C(4) chains along [100]. Weak C-H⋯O contacts link the mol-ecules into (100) sheets containing edge-fused R 4 (4)(30) rings. Together, the N-H⋯O and C-H⋯O hydrogen bonds generate a ...[more]

PMID: 26090182

Similar Datasets

Crystal structure of 3-chloro-N-(2-nitro-phen-yl)benzamide.

Project description:In the title compound, C13H9ClN2O3, the mean plane of the central amide fragment (r.m.s. deviation = 0.016 Å) subtends dihedral angles of 15.2 (2) and 8.2 (2)° with the chloro- and nitro-substituted benzene rings, respectively. An intra-molecular N-H⋯O hydrogen bond generates an S(6) ring. In the crystal, mol-ecules are linked by weak C-H⋯O hydrogen bonds, forming C(7) chains which propagate along [010], but no Cl⋯Cl short contacts are observed.

| S-EPMC4555397 | biostudies-literature

4-Nitro-N-(3-nitro-phen-yl)benzamide.

Project description:The title compound, C(13)H(9)N(3)O(5), prepared as a solid derivative of 3-nitro-analine via reaction with 4-nitro-benzoyl chloride, crystallizes in a chiral space group. The mol-ecule is non-planar with a dihedral angle of 26.1?(1)° between the two benzene rings. Both nitro groups are twisted slightly out of the plane of their corresponding benzene rings, making dihedral angles of 10.7?(4) and 13.5?(4)°. The mol-ecules are stacked along the a axis with benzene ring centroid-centroid distances of 3.8878?(6)?Å. In the crystal, inter-molecular benzene C-H?O inter-actions involving one nitro group and the carbonyl group link the mol-ecules, forming chains along [001]. An additional set of aromatic C-H?O inter-actions with the second nitro group form chains along [101], connecting adjacent chains to create layers perpendicular to the b axis.

| S-EPMC3201324 | biostudies-literature

N-(2-Nitro-phen-yl)benzamide.

Project description:In the title compound, C(13)H(10)N(2)O(3), the central C-C(=O)-N-C amide unit makes dihedral angles of 21.68?(4) and 19.08?(4)°, respectively, with the phenyl and nitro-benzene rings. The two aromatic rings are inclined at 3.74?(3)° and the nitro group is skewed out of the attached benzene ring plane by 18.55?(8)°. An intra-molecular N-H?O inter-action to an O atom of the nitro substituent generates an S(6) ring motif. In the crystal, C-H?O contacts generate two centrosymmetric ring systems with R(2) (2)(14) and R(2) (2)(20) graph-set motifs, forming zigzag chains down the a axis. ?-? inter-actions between adjacent phenyl and nitro-benzene rings [centroid-centroid distance = 3.6849?(6)?Å] also form centrosymmetric dimers. These and an additional C-H?O hydrogen bond generate an extensive three-dimensional network structure.

| S-EPMC2977104 | biostudies-literature

Crystal structures of isomeric 4-bromo-<i>N</i>-[(2-nitro-phen-yl)sulfon-yl]benzamide and 4-bromo-<i>N</i>-[(4-nitro-phen-yl)sulfon-yl]benzamide.

Project description:The syntheses and crystal structures of the isomeric 4-bromo-N-[(2-nitro-phen-yl)sulfon-yl]benzamide, (I), and 4-bromo-N-[(4-nitro-phen-yl)sulfon-yl]benzamide, (II), are described (mol-ecular formula = C13H9BrN2O5S in each case). The asymmetric unit of (I) contains two independent mol-ecules [(IA) and (IB)], while that of (II) contains one mol-ecule. The benzoic acid aromatic ring of mol-ecule (IA) is disordered due to rotation about the Car-C(=O) bond over two orientations in a 0.525 (9):0.475 (9) ratio. The dihedral angle between the benzene rings is 85.9 (3)° in (IA) and 65.22 (19)° in (IB), while in (II), the corresponding value is 56.7 (7)°. In the crystals of (I) and (II), N-H⋯O, C-H⋯O and C-H⋯π inter-actions generate three-dimensional networks.

| S-EPMC5347043 | 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. ?-? 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-other

Crystal structure of 2-nitro-N-(5-nitro-1,3-thia-zol-2-yl)benzamide.

Project description:In the title compound, C10H6N4O5S, the mean plane of the non-H atoms of the central amide fragment C-N-C(=O)-C [r.m.s. deviation = 0.0294?Å] forms dihedral angles of 12.48?(7) and 46.66?(9)° with the planes of the thia-zole and benzene rings, respectively. In the crystal, mol-ecules are linked by N-H?O hydrogen bonds, forming chains along [001]. In addition, weak C-H?O hydrogen bonds link these chains, forming a two-dimensional network, containing R (4) 4(28) ring motifs parallel to (100).

| S-EPMC4257378 | biostudies-literature

N-(2-Chloro-4-nitro-phen-yl)-2-nitro-benzamide.

Project description:In the title compound, C(13)H(8)ClN(3)O(5), the dihedral angle between the two aromatic rings is 70.74?(6)°. The nitro groups of the Cl-substituted and benzamide benzene rings are twisted by 2.6?(1) and 31.3?(2)°, respectively. The crystal packing shows inter-molecular C-H?O hydrogen bonds that link mol-ecules into sheets stacked along [010].

| S-EPMC2961029 | biostudies-literature

N-(4-Bromo-phen-yl)-4-nitro-benzamide.

Project description:In the title compound, C(13)H(9)BrN(2)O(3), the dihedral angle between the mean planes of the two benzene rings is 3.6?(7)°. The amide group is twisted by 28.1?(6) and 31.8?(3)° from the mean planes of the 4-bromo-phenyl and 4-nitro-benzene rings, respectively. The crystal packing features weak inter-molecular N-H?O and C-H?O hydrogen bonds resulting in a three-dimensional network.

| S-EPMC3051426 | biostudies-literature

3,5-Dinitro-N-(4-nitro-phen-yl)benzamide.

Project description:In the title mol-ecule, C(13)H(8)N(4)O(7), the amide fragment has an anti configuration. The mean planes of the two benzene rings form a dihedral angle of 7.78?(4)°. The mean planes of the three nitro groups are twisted by 6.82?(3), 5.01?(4) and 18.94?(7)° with respect to the benzene rings to which they are attached. In the crystal, mol-ecules are linked by weak inter-molecular N-H?O hydrogen bonds into chains along [100].

| S-EPMC3011508 | biostudies-literature

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

Project description:The title nitro-phenyl benzamide, C13H9BrN2O3, with two mol-ecules in the asymmetric unit, has dihedral angles of 16.78?(15) and 18.87?(14)° between the benzene rings. An intra-molecular N-H?O hydrogen bond is observed in each mol-ecule. In the crystal, the molecules are linked by weak C-H?O inter-actions; halogen-halogen inter-actions are also observed [Br?Br = 3.4976?(7)?Å]. These inter-actions form R (2) 2(10), R (2) 2(15) and R (6) 6(32) edge-fused rings along [010].

| S-EPMC3998505 | 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