Browse
Submit Data
Databases
API
Help

Dataset Information

25 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

N,N'-Bis[3,5-bis-(2,6-diisopropyl-phen-yl)phen-yl]butane-2,3-diimine.

ABSTRACT: The title mol-ecule, C(64)H(80)N(2), lies on an inversion center wherein the central butane-diimine fragment [N=C(Me)-C(Me)=N] is essentially planar [maximum deviation = 0.002?(2)?Å] and its mean plane forms a dihedral of 70.88?(10)° with the attached benzene ring. In the symmetry-unique part of the mol-ecule, the dihedral angles between the benzene ring bonded to the N atom and the other two benzene rings are 89.61?(6) and 82.77?(6)°.

SUBMITTER: Lohr TL

PROVIDER: S-EPMC3200583 | biostudies-literature | 2011 Sep

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

N,N'-Bis[3,5-bis-(2,6-diisopropyl-phen-yl)phen-yl]butane-2,3-diimine.

Lohr Tracy L TL Piers Warren E WE Parvez Masood M

Acta crystallographica. Section E, Structure reports online 20110811 Pt 9

The title mol-ecule, C(64)H(80)N(2), lies on an inversion center wherein the central butane-diimine fragment [N=C(Me)-C(Me)=N] is essentially planar [maximum deviation = 0.002 (2) Å] and its mean plane forms a dihedral of 70.88 (10)° with the attached benzene ring. In the symmetry-unique part of the mol-ecule, the dihedral angles between the benzene ring bonded to the N atom and the other two benzene rings are 89.61 (6) and 82.77 (6)°. ...[more]

PMID: 22058928

Similar Datasets

1,2-Bis{[3,5-bis-(2,6-diisopropyl-phen-yl)phen-yl]imino}-acenaphthene toluene monosolvate.

Project description:In the title compound, C(72)H(80)N(2)·C(7)H(8), the acenaphthene ring system is essentially planar, with a maximum deviation of 0.041?(3)?Å. The benzene rings bonded to the the N atoms are essentially parallel, forming a dihedral angle of 0.80?(11)°, and these rings form dihedral angles of 87.49?(9) and 88.25?(10)° with the mean plane of the acenaphthene ring system. The methyl C atoms of three of the isopropyl groups are disordered of two sets of sites of equal occupancy.

| S-EPMC3200865 | biostudies-other

1,3-Bis(2,6-diisopropyl-phen-yl)imidazolidin-2-yl-idene.

Project description:The title compound, C(27)H(38)N(2), is the first reported free imidazolidin-2-yl-idene carbene with 2,6-diisopropyl-phenyl groups in the 1,3-positions. The five-membered ring adopts a twisted conformation and the dihedral angle between the aromatic rings is 48.81 (6)°. Both isopropyl groups attached to one of the benzene rings are disordered over two sets of sites in 0.74 (2):0.26 (2) and 0.599 (8):0.401 (8) ratios.

| S-EPMC3007848 | biostudies-literature

Crystal structure of 2,3-bis-[(4-tert-butyl-2,6-di-methyl-phen-yl)imino]-butane.

Project description:The title compound, C28H40N2, was obtained from the condensation reaction of 4-tert-butyl-2,6-di-methyl-aniline and butane-2,3-dione. The mol-ecule lies on an inversion centre. The C=N bond has an E conformation. The plane of the benzene ring is almost perpendicular to the 1,4-di-aza-butadiene mean plane [dihedral angle = 89.8 (9)°].

| S-EPMC4438850 | biostudies-literature

2,3-Bis{[2,3-dimethyl-6-(phenyl-vin-yl)phen-yl]imino}-butane.

Project description:In the title compound, C36H36N2, a product of the condensation reaction of 2,3-dimethyl-6-phenyl-vinyl-benzenamine and 2,3-butane-dione, the complete mol-ecule is generated by the application of an inversion centre. The central C-C bond in the 1,4-di-aza-butadiene fragment is trans-configured and situated about the inversion center. The dihedral angle between the ring attached to N and the 1,4-di-aza-butadiene plane is 78.24 (36)°, while the 1,4-di-aza-butadiene plane makes an angle of 30.71 (26)° with the phenyl ring.

| S-EPMC3998296 | biostudies-literature

Bis(2,6-diisopropyl-phen-yl) sulfite.

Project description:In the title compound, C(24)H(34)O(3)S, the dihedral angle between the benzene rings is 84.62?(8)°. In the crystal, inter-molecular C-H?O hydrogen bonds link mol-ecules into zigzag chains running parallel to the c axis. The C atoms of two isopropyl groups are disordered over two sets of sites with occupancy ratios of 0.858?(9):0.142?(9) and 0.61?(5):0.39?(5).

| S-EPMC3120358 | biostudies-other

N,N'-Bis(2,6-diethyl-phen-yl)acenaphthyl-ene-1,2-diimine.

Project description:The title compound, C(32)H(32)N(2), has crystallographic twofold rotation symmetry, with two C atoms lying on the rotation axis. The dihedral angle between the substituted benzene ring and the naphthalene ring system is 79.8?(1)°. The crystal structure is stabilized by C-H?N inter-actions, which form a chain motif along the b-axis direction.

| S-EPMC3254474 | biostudies-literature

N-(2,6-Diisopropyl-phen-yl)formamide.

Project description:The title compound, C(13)H(19)NO, exhibits a non-planar structure in which the 2,6-diisopropyl-phenyl ring is tilted at a dihedral angle of 77.4?(1)° with respect to the formamide group. This is the largest dihedral angle known among structurally characterized formamides. The mol-ecules are linked via N-H?O hydrogen bonds, forming infinite chains which run along the b-axis directions.

| S-EPMC2960669 | biostudies-literature

N-(2,6-Diisopropyl-phen-yl)-N-{3-[(2,6-diisopropyl-phen-yl)imino]-butan-2-yl}aza-nide trichloridostannate(II).

Project description:In the title compound, (C(28)H(43)N(2))[SnCl(3)], two pairs of molecular species are present in the asymmetric unit. The employed α-diimine opens up, forming a highly asymmetric ammonium that has its protons at one of the N atoms [N-C= 1.264 (4) and 1.516 (4) Å]. One of the C=N double bonds was oxidized to C-N, which is consistent with the bond length of 1.516 (4) Å. Meanwhile Sn(IV) was reduced to Sn(II). The (SnCl)(3) (-) anion is trigonal-pyramidal. In the crystal, mol-ecules are linked by C-H⋯Cl, N-H⋯Cl, N-H⋯N and C-H⋯N bonds. The crystal studied was twinned by pseudo-merohedry.

| S-EPMC3379065 | biostudies-literature

A monoclinic polymorph of N,N'-bis-(2,6-diisopropyl-phen-yl)formamidine.

Project description:A new polymorph of N,N'-bis-(2,6-diisopropyl-phen-yl)formamidine, C(25)H(36)N(2), is reported, which is different from the previously reported ortho-rhom-bic structure. The mol-ecule crystallizes in the E-anti configuration, with tautomeric disorder of the N-bonded H atoms and no clear distinction between imine and amine functionalities. The mol-ecules form hydrogen-bonded dimers with inter-molecular N⋯N distances shorter than those in the ortho-rhom-bic polymorph.

| S-EPMC2962078 | biostudies-literature

(2Z,6Z)-N,N-Bis(2,6-diisopropyl-phen-yl)-N,N-bis-(2-methoxy-ethyl)pyridine-2,6-dicarboxamidine.

Project description:In the title compound, C(37)H(53)N(5)O(2), the benzene rings make dihedral angles of 84.61 (8) and 67.10 (9)° with the pyridine ring. The crystal structure is stabilized by strong intra-molecular inter-actions. The two (2-methoxyethyl)amine groups are disordered over two positions; the site occupancies are ca 0.6 and 0.4.

| S-EPMC2915285 | 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