Browse
Submit Data
Databases
API
Help

Dataset Information

32 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

N (1),N (4)-Diphenyl-3,6-bis-(phenyl-imino)-cyclo-hexa-1,4-diene-1,4-di-amine.

ABSTRACT: In the title compound, C30H24N4, the central benzo-quinonedi-imine moiety is approximately planar, with a maximum deviation of 0.044?(14)?Å. The four terminal phenyl rings are twisted by 44.95?(11), 54.90?(10), 44.98?(10) and 50.68?(11)° with respect to the mean plane the benzo-quinonedi-imine unit. In the crystal, mol-ecules are linked by weak C-H?? inter-actions into supra-molecular chains running along the b-axis direction.

SUBMITTER: Ohno K

PROVIDER: S-EPMC3998435 | biostudies-literature | 2014 Mar

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

N (1),N (4)-Diphenyl-3,6-bis-(phenyl-imino)-cyclo-hexa-1,4-diene-1,4-di-amine.

Ohno Keiji K Maruyama Haruki H Fujihara Takashi T Nagasawa Akira A

Acta crystallographica. Section E, Structure reports online 20140215 Pt 3

In the title compound, C30H24N4, the central benzo-quinonedi-imine moiety is approximately planar, with a maximum deviation of 0.044 (14) Å. The four terminal phenyl rings are twisted by 44.95 (11), 54.90 (10), 44.98 (10) and 50.68 (11)° with respect to the mean plane the benzo-quinonedi-imine unit. In the crystal, mol-ecules are linked by weak C-H⋯π inter-actions into supra-molecular chains running along the b-axis direction. ...[more]

PMID: 24765006

Similar Datasets

An ortho-rhom-bic polymorph of N (1),N (4)-diphenyl-3,6-bis-(phenyl-imino)-cyclo-hexa-1,4-diene-1,4-di-amine.

Project description:A new ortho-rhom-bic polymorph of the title compound, C30H24N4, with a density of 1.315 Mg m(-3), has been obtained. The mol-ecule is centrosymmetric with the centroid of the cyclo-hexa-1,4-diene ring located on an inversion center. The two unique benzene rings are almost perpendicular to each other [dihedral angle = 86.70 (6)°] and are oriented at dihedral angles of 30.79 (5) and 68.07 (5)° with respect to the central cyclo-hexa-diene ring. In the crystal, π-π stacking is observed between the central cyclo-hexa-1,4-diene-1,4-di-amine unit and a phenyl ring of a neighboring mol-ecule [centroid-centroid distance = 3.7043 (7) Å]. The crystal structure of the triclinic polymorph [Ohno et al. (2014 ▶). Acta Cryst. E70, o303-o304] showed chains running along the b-axis direction through weak C-H⋯π inter-actions.

| S-EPMC3998558 | biostudies-literature

2,5-Dichloro-3,6-diisopropyl-cyclo-hexa-2,5-diene-1,4-dione.

Project description:The mol-ecule of the title compound, C(12)H(14)Cl(2)O(2), lies about an inversion center. The six-membered ring is almost planar, with the largest deviation from the least-squares plane being 0.014 (4) Å. The mol-ecular conformation is stabilized by a weak intra-molecular C-H⋯O hydrogen bond. In the crystal, mol-ecules are packed into stacks along the c-axis direction, with an inter-centroid separation of 4.811 (2) Å. Neighboring mol-ecules within the stack are related by the c-glide plane.

| S-EPMC3435695 | biostudies-literature

2,5-Di-bromo-3,6-dimeth-oxycyclo-hexa-2,5-diene-1,4-dione.

Project description:In the structure of the title compound, C8H6Br2O4, the complete mol-ecule is generated by the application of a centre of inversion. The mol-ecule is planar (r.m.s. deviation for all non-H atoms but methyl C = 0.0358?Å), with only the methyl groups being deviated from the plane [by ±0.321?(4)?Å]. In the crystal packing, Br?O(methoxy) halogen bonds [3.2407?(19)?Å] connect molecules into supramolecular layers parallel to (101).

| S-EPMC4051031 | biostudies-literature

Cyclo-hexa-2,5-diene-1,4-dione-1,2,4,5-tetra-fluoro-3,6-diiodo-benzene (1/1).

Project description:The asymmetric unit of the title co-crystal adduct, C(6)H(4)O(2)·C(6)F(4)I(2), comprises a half-mol-ecule each of cyclo-hexa-2,5-diene-1,4-dione and 1,2,4,5-tetra-fluoro-3,6-diiodo-benzene. The C(6)F(4)I(2) mol-ecule is almost planar (r.m.s. deviation = 0.0062?Å). In the crystal, the components are connected through O?I halogen bonds [3.017?(11)?Å], leading to the formation of wavelike chains along the a axis. The crystal packing also features C-H?F inter-actions.

| S-EPMC3344551 | biostudies-literature

Crystal structure of poly[[hexa-aqua-tris-(?-3,6-di-oxo-cyclo-hexa-1,4-diene-1,4-diolato)dierbium(III)] octa-deca-hydrate].

Project description:The title lanthanide complex, [Er2(C6H2O4)3(H2O)6]·18H2O, is isostructural with its La, Gd, Yb and Lu analogues. The Er3+ ion, located on a threefold rotation axis, is nine-coordinated in a distorted tricapped trigonal-prismatic geometry, which is completed by six oxygen atoms from three dhbq2- ligands and three oxygen atoms from coordinated water mol-ecules. Each dhbq2- ligand acts in a ?2-bis-(bidentate) bridging mode to connect two Er3+ ions to form honeycomb (6,3) two-dimensional sheets extending in the ab plane, having an Er?Er separation of 8.7261?(2)?Å. In the crystal, extensive O-H?O hydrogen-bonding inter-actions involving the coordinated water mol-ecules and the water mol-ecules of crystallization, as well as the oxygen atoms of the dhbq2- ligands, generate an overall three-dimensional supra-molecular network.

| S-EPMC6323882 | biostudies-other

Crystal structure of dimethyl 2,5-bis-[(di-phen-oxy-phosphor-yl)-oxy]cyclo-hexa-1,4-diene-1,4-di-carboxyl-ate.

Project description:In the title compound, C34H30O12P2, which was synthesized via the esterification of dimethyl 2,5-dioxo-1,4-cyclo-hexa-nedi-carboxyl-ate with diphenyl chloro-phosphate, the mol-ecule has crystallographic inversion symmetry. The dihedral angles between the plane of the cyclo-hexa-1,4-diene ring and those of the two benzene rings of the substituent phosphate groups are 41.0 (1) and 89.5 (1)°, while that with the ester group is 3.1 (3)°. In the crystal, only weak inter-molecular C-H⋯O hydrogen bonds are present.

| S-EPMC4459327 | biostudies-literature

catena-Poly[[bis-(ethanol-κO)mangan-ese(II)]-μ-2,5-di-chloro-3,6-di-oxo-cyclo-hexa-1,4-diene-1,4-bis-(olato)-κ(4) O (1),O (6):O (3),O (4)].

Project description:In the title coordination polymer, [Mn(C6Cl2O4)(C2H5OH)2] n , the Mn(II) atom and the chloranilate [systematic name: 2,5-di-chloro-3,6-dioxo-cyclo-hexa-1,4-diene-1,4-bis-(olate)] ion lie on crystallographic inversion centers. The geometry around the Mn(II) atom is a distorted octa-hedron involving four O atoms of two chloranilate ions and two O atoms from two ethanol mol-ecules. The chloranilate ion serves as a bridging ligand between the Mn(II) ions, leading to an infinite linear chain along the b-axis direction. The chains are linked by O-H⋯O hydrogen bonds between the apically coordinating ethanol mol-ecule and the chloranilate ion, affording a two-dimensional layer expanding parallel to the ab plane.

| S-EPMC3998436 | biostudies-literature

Crystal structure of dimethyl 3,4,5,6-tetra-phenyl-cyclo-hexa-3,5-diene-1,2-di-carboxyl-ate.

Project description:In the title compound, C34H28O4, the cyclo-hexa-diene ring has a screw-boat conformation with a torsion angle between the double bonds being on average ca 15° [15.2 (3) and -15.3 (3) in the two independent mol-ecules]. All four phenyl rings in both mol-ecules are arranged in a propeller-like conformation. The two mol-ecules exhibit S,R- and R,S- chirality, respectively, and are connected via C-H⋯O inter-molecular inter-actions. In turn, these weakly bound dimers form the mol-ecular crystal.

| S-EPMC4992912 | biostudies-literature

4-Isopropyl-N-phenyl-cyclo-hexa-1,3-diene-1-carboxamide.

Project description:In the crystal structure of the title compound, C(16)H(19)NO, mol-ecules are linked through a pair of N-H⋯O hydrogen bonds, forming chains along the a axis.

| S-EPMC2983390 | biostudies-literature

N,N'-Bis(di-phenyl-meth-yl)benzene-1,4-di-amine.

Project description:The complete mol-ecule of the title compound, C32H28N2, is generated by crystallographic inversion symmetry. The dihedral angles between the central aromatic ring and the pendant adjacent rings are 61.37 (16) and 74.20 (14)°. The N-H group does not participate in hydrogen bonds and there are no aromatic π-π stacking inter-actions in the crystal.

| S-EPMC3914097 | 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