Browse
Submit Data
Databases
API
Help

Dataset Information

27 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

N-(4-Bromo-phen-yl)-3,5-dinitro-benzamide.

ABSTRACT: The title mol-ecule, C(13)H(8)BrN(3)O(5), is slightly twisted, with the dihedral angle between the two benzene rings being 5.9?(1)°. In the crystal, N-H?O hydrogen bonds link the mol-ecules into one-dimensional chains running along [101]. Further stabilization of the crystal structure is provided by ?-? inter-actions [shortest centroid-centroid distance = 3.6467?(17)?Å].

SUBMITTER: Saeed S

PROVIDER: S-EPMC3254366 | biostudies-literature | 2012 Jan

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

N-(4-Bromo-phen-yl)-3,5-dinitro-benzamide.

Saeed Sohail S Rashid Naghmana N Hussain Rizwan R Wong Wing-Tak WT

Acta crystallographica. Section E, Structure reports online 20111203 Pt 1

The title mol-ecule, C(13)H(8)BrN(3)O(5), is slightly twisted, with the dihedral angle between the two benzene rings being 5.9 (1)°. In the crystal, N-H⋯O hydrogen bonds link the mol-ecules into one-dimensional chains running along [101]. Further stabilization of the crystal structure is provided by π-π inter-actions [shortest centroid-centroid distance = 3.6467 (17) Å]. ...[more]

PMID: 22259531

Similar Datasets

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

N-(3,5-Dichloro-phen-yl)benzamide.

Project description:The conformation of the H-N-C=O unit in the title compound, C(13)H(9)Cl(2)NO, is trans, similar to the conformation observed in N-(3-chloro-phen-yl)benzamide, N-(2,3-dichloro-phen-yl)benzamide, N-(2,4-dichloro-phen-yl)benzamide, N-(2,6-dichloro-phen-yl)benzamide and N-(3,4-dichloro-phen-yl)benz-amide. The amide group makes dihedral angles of 14.3?(8) and 44.4?(4)° with the benzoyl and aniline rings, respectively, while the benzoyl and aniline rings form a dihedral angle of 58.3?(1)°. The mol-ecules are linked by N-H?O hydrogen bonds into infinite chains running along the c axis.

| S-EPMC2961786 | biostudies-literature

3,5-Dinitro-N-(1,3-thia-zol-2-yl)benzamide monohydrate.

Project description:In the title compound, C(10)H(6)N(4)O(5)S·H(2)O, the thia-zole ring is twisted at a dihedral angle of 25.87 (7)° with respect to the benzene ring. The water mol-ecule is linked with the benzamide mol-ecules via N-H⋯O, O-H⋯N and O-H⋯O hydrogen bonds. In the crystal, π-π stacking is observed between nearly parallel [dihedral angle = 7.02 (7)°] thia-zole and benzene rings of adjacent mol-ecules, the centroid-centroid distances being 3.7107 (9) and 3.7158 (9) Å, respectively.

| S-EPMC3052084 | biostudies-literature

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

Project description: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..

| S-EPMC3152108 | biostudies-literature

N-Methyl-3,5-dinitro-benzamide.

Project description:The asymmetric unit of the title compound, C(8)H(7)N(3)O(5), contains two independent mol-ecules in which the amide plane is oriented at dihedral angles of 29.82?(2) and 31.17?(2)° with respect to the benzene ring. In the crystal, mol-ecules are connected via inter-molecular N-H?O hydrogen bonds, forming chains running along the b axis.

| S-EPMC3254543 | biostudies-literature

(2-Chloro-3,5-dinitro-phen-yl)(piperidin-1-yl)methanone.

Project description:In the title compound, C(12)H(12)ClN(3)O(5), the piperidine ring adopts a chair conformation. One of the nitro groups is almost coplanar with the aromatic ring [O-N-C-C = -1.4?(2)°], whereas the other one is significantly twisted out of the ring plane [O-N-C-C = 34.7?(2)°]. The crystal packing is stabilized by inter-molecular ?-? stacking inter-actions with centroid-centroid distances of 3.579?(3)?Å.

| S-EPMC3089352 | biostudies-literature

2-Chloro-N-(3,5-dimethyl-phen-yl)benzamide.

Project description:In the structure of the the title compound, C(15)H(14)ClNO, the N-H and C=O bonds are trans to each other and the amide O atom is anti to the ortho-Cl atom in the benzoyl ring. The amide group makes dihedral angles of 61.2?(6) and 42.2?(8)° with the benzoyl and aniline rings, respectively. In the crystal, the mol-ecules are linked into infinite chains by N-H?O hydrogen bonds.

| S-EPMC2968629 | biostudies-literature

N-(3,5-Dimethyl-phen-yl)-4-methyl-benzamide.

Project description:In the title compound, C(16)H(17)NO, the dihedral angle between the two benzene rings is 16.6 (1)°. The crystal structure is stabilized by inter-molecular N-H⋯O hydrogen bonds, which link the mol-ecules into chains running along the c axis.

| S-EPMC3238820 | biostudies-literature

1-[(Bromo-meth-yl)(phen-yl)meth-ylene]-2-(2,4-dinitro-phen-yl)hydrazine.

Project description:The title compound, C(14)H(11)BrN(4)O(4), comprises two crystallographically independent mol-ecules (A and B) in the asymmetric unit. In mol-ecule B, intra-molecular bifurcated N-H⋯O and N-H⋯Br hydrogen bonds and in mol-ecule A, an intra-molecular N-H⋯O hydrogen bond generate S(6) ring motifs. The dihedral angle between the phenyl and benzene rings is 5.44 (6) in mol-ecule A and 7.63 (6)° in mol-ecule B. The ortho- and meta-nitro substituents make dihedral angles of 6.67 (15) and 2.26 (15)° to the attached benzene ring in mol-ecule A and 6.37 (17) and 5.81 (16)° in mol-ecule B. The Br atom in mol-ecule B is disordered over two positions with a refined site-occupancy ratio of 0.61 (3):0.39 (3). Inter-esting features of the crystal structure are the short Br⋯N [3.257 (3)-3.294 (4) Å], Br⋯O [3.279 (3)-3.307 (4) Å] and O⋯O [2.9319 (16)-2.9995 (16) Å] contacts, which are shorter than the sum of the van der Waals radii of these atoms. The crystal structure is further stabilized by inter-molecular C-H⋯O and π-π inter-actions [centroid-centroid distances = 3.6643 (8)-3.8514 (8) Å].

| S-EPMC2969738 | biostudies-literature

A co-crystal of 3-(3,5-dinitro-benzo-yl)-1,1-dimethyl-thio-urea and N,N-dimethyl-3,5-dinitro-benzamide.

Project description:In the title compound, C(10)H(10)N(4)O(5)S·C(9)H(9)N(3)O(5), the amide groups of 3-(3,5-dinitro-benzo-yl)-1,1-dimethyl-thio-urea and N,N-dimethyl-3,5-dinitro-benzamide mol-ecules are oriented at dihedral angles of 39.13?(8) and 55.97?(11)°, respectively, to the attached benzene rings. In the crystal, the two mol-ecules are linked by an N-H?O hydrogen bond. Weak C-H?O link the mol-ecules into a sheet parallel to the bc plane. C-H?S inter-actions also occur.

| S-EPMC3515214 | 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