Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

N,N'-Bis(4-nitro-phen-yl)biphenyl-2,2'-dicarboxamide.

ABSTRACT: In the title compound, C(26)H(18)N(4)O(6), the amide units are approximately coplanar with the benzene ring bonded to the N atom [dihedral angles of 10.59?(10) and 24.00?(12)°], but twisted significantly out of the plane of the benzene ring bonded to the carbonyl C atom [dihedral angles of 57.82?(9) and 58.05?(9)°]. The dihedral angle between the two rings of the biphenyl unit is 77.66?(4)°. Intra-molecular N-H?O hydrogen bonds and weak C-H?O inter-actions occur. The crystal structure is stabilized by inter-molecular N-H?O hydrogen bonds and C-H?O contacts.

SUBMITTER: Wang GY

PROVIDER: S-EPMC2983665 | biostudies-literature | 2010 Feb

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

N,N'-Bis(4-nitro-phen-yl)biphenyl-2,2'-dicarboxamide.

Wang Gui-Yu GY Qin Da-Bin DB Guo Li-Hui LH Luo Jie-Wei JW

Acta crystallographica. Section E, Structure reports online 20100217 Pt 3

In the title compound, C(26)H(18)N(4)O(6), the amide units are approximately coplanar with the benzene ring bonded to the N atom [dihedral angles of 10.59 (10) and 24.00 (12)°], but twisted significantly out of the plane of the benzene ring bonded to the carbonyl C atom [dihedral angles of 57.82 (9) and 58.05 (9)°]. The dihedral angle between the two rings of the biphenyl unit is 77.66 (4)°. Intra-molecular N-H⋯O hydrogen bonds and weak C-H⋯O inter-actions occur. The crystal structure is stabili ...[more]

PMID: 21580398

Similar Datasets

N,N'-Bis(2-methoxy-phen-yl)biphenyl-2,2'-dicarboxamide.

Project description:In the title compound, C(28)H(24)N(2)O(4), the dihedral angle between the two rings of the biphenyl unit is 75.34 (9)°. The outer aromatic rings form dihedral angles of 66.96 (1) and 85.69 (8)° with the rings to which they are attached . The mol-ecular structure is stabilized by intra-molecular C-H⋯O and N-H⋯O hydrogen bonds. In the crystal structure, inter-molecular N-H⋯O inter-actions are observed.

| S-EPMC2959503 | biostudies-literature

2,2'-Bis(4-nitro-phen-oxy)-1,1'-binaphth-yl.

Project description:The title compound, C(32)H(20)N(2)O(6), was synthesized by the reaction of 1,1'-binaphthyl-2,2'-diol and 4-nitro-phenol in the presence of K(2)CO(3). The two naphthalene systems make a dihedral angle of 73.70 (5)°. The crystal packing involves mol-ecules connected by C-H⋯O hydrogen bonds into a chain along the c axis.

| S-EPMC2961794 | biostudies-literature

1,1,1,3,3,3-Hexafluoro-2,2-bis-[4-(4-nitro-phen-oxy)phen-yl]propane.

Project description:In the title compound, C(27)H(16)F(6)N(2)O(6), the nitro groups are almost coplanar with the aromatic rings to which they are attached [dihedral angles = 3.5 (5) and 6.2 (3)°]. The dihedral angles between adjacent aromatic rings are 78.07 (8) and 71.11 (8)° for nitro-phen-yl/phenyl and 69.50 (8)° for phen-yl/phenyl. An inter-molecular C-H⋯π inter-action seems to be effective in the stabilization of the structure.

| S-EPMC2962162 | biostudies-literature

3,3'-{[(Biphenyl-2,2'-di-yl)bis-(methyl-ene)]bis-(-oxy)}bis-[N-(4-chloro-phen-yl)benzamide].

Project description:In the title compound, C40H30Cl2N2O4, the two benzene rings of the biphenyl unit are twisted with respect to each other, making a dihedral angle of 73.07 (4)°. The benzene rings of the benzamide groups form dihedral angles of 77.09 (5) and 55.48 (6)° with the central biphenyl moiety. In the crystal, mol-ecules are linked through N-H⋯O hydrogen bonds to form a fused R 2 (2)(38) ring motif which forms a supermolecular ribbon network extending along the [100] plane. In the two 4-chloro-phenyl rings, the five C atoms and their attached H atoms are disordered over two sets of sites, with site-occupancy factors of 0.657 (15):0.343 (15) and 0.509 (13):0.491 (13).

| S-EPMC3685066 | biostudies-literature

N,N'-Bis(3-nitro-benzyl-idene)-2,2'-[2-(3-nitro-phen-yl)imidazolidine-1,3-di-yl]diethanamine.

Project description:The title compound, C(27)H(27)N(7)O(6), a Schiff base, was synthesized by the reaction of triethyl-enetetra-mine with 3-nitro-benzealdehyde. There are two independent mol-ecules in the asymmetric unit. The central aromatic ring in one mol-ecule makes dihedral angles of 23.99?(7) and 20.06?(6)° with the two terminal rings; for the second mol-ecule, these angles are 26.14?(6) and 24.64?(6)°.

| S-EPMC2983619 | biostudies-literature

Bis(?-4,4;6,6-bis-(biphenyl-2,2'-diyldi-oxy)-2,2-bis-{2-[5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl]phen-oxy}cyclo-triphosphazene)di-?-chlorido-bis-[chlorido-copper(II)].

Project description:In the crystal of the title compound, [Cu(2)Cl(4)(C(50)H(32)N(9)O(8)P(3))(2)], the binuclear mol-ecule is located across an inversion center. Each Cu(2+) cation is coordinated by two pyridine N atoms from symmetry-related 4,4;6,6-bis-(biphenyl-2,2'-diyldi-oxy)-2,2-bis-{2-[5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl]phen-oxy}cyclo-triphosphazene (L) ligands, a pair of bridging Cl(-) anions and a terminal Cl(-) anion, forming a distorted CuCl(3)N(2) square-pyramidal geometry. Weak intra-molecular C-H?O and inter-molecular C-H?N inter-actions occur in the crystal.

| S-EPMC3344371 | biostudies-literature

N,N'-Bis[4-(trifluoro-meth-yl)phen-yl]pyridine-2,6-dicarboxamide.

Project description:In the title mol-ecule, C(21)H(13)F(6)N(3)O(2), the pyridine ring forms dihedral angles of 1.7?(1) and 5.2?(1)° with the two benzene rings. In the crystal structure, inter-molecular N-H?O hydrogen bonds and ??? inter-actions [centroid-centroid distance of 3.628?(3)?Å between aromatic rings] link mol-ecules into stacks along the c axis. The two trifluoro-methyl groups are each rotationally disordered between two orientations, with occupancy ratios of 0.58?(1):0.42?(1) and 0.55?(1):0.45?(1).

| S-EPMC2979671 | biostudies-literature

Bis(2-nitro-phen-yl)methane.

Project description:In the title compound, C13H10N2O4, the nitro groups are twisted significantly relative to the benzene rings [dihedral angles = 16.64?(18) and 28.02?(11)°]. The benzene groups are nearly perpendicular to each other [dihedral angle = 87.72?(6)°]. Short inter-molecular N?O and C?O [2.981?(2) and 3.060?(2)?Å, respectively] contacts suggest possible weak ?-inter-actions between nitro groups and between benzene and nitro groups. In addition, there are ?-? inter-actions between one benzene group and an inversion-related equivalent [inter-planar separation = 3.494?(2)?Å].

| S-EPMC4158535 | biostudies-literature

Bis(3-nitro-phen-yl) sulfone.

Project description:The asymmetric unit of the title compound, C(12)H(8)N(2)O(6)S, an important diphenyl sulfone derivative, contains one half-mol-ecule; a mirror plane passes through the SO(2) group. The dihedral angle between the two symmetry-related benzene rings is 40.10 (13)°. An intra-molecular C-H⋯O hydrogen bond results in the formation of a five-membered ring, which adopts an envelope conformation.

| S-EPMC2962012 | biostudies-literature

2,2-Dichloro-N-(3-nitro-phen-yl)acetamide.

Project description:The conformation of the N-H bond in the structure of the title compound (3NPDCA), C(8)H(6)Cl(2)N(2)O(3), is anti to the meta-nitro group, similar to that in the structures of 2-chloro-N-(3-nitro-phen-yl)acetamide (3NPCA) and 2,2,2-trichloro-N-(3-nitro-phen-yl)acetamide (3NPTCA), and the meta-chloro group in 2,2-dichloro-N-(3-chloro-phen-yl)acetamide (3CPDCA). The geometric parameters of 3NPDCA are similar to those of 2,2-dichloro-N-phenyl-acetamide, 3CPDCA, 3NPCA, 3NPTCA and other acetanilides. Inter-molecular N-H⋯O hydrogen bonds link the mol-ecules into chains running along the b axis.

| S-EPMC2960440 | 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