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4,4'-Di-tert-butyl-2,2'-bipyridine.

ABSTRACT: In the title compound, C(18)H(24)N(2), the mol-ecular unit adopts a trans conformation around the central C-C bond [N-C-C-N torsion angle of 179.2?(3)°], with the two aromatic rings almost coplanar [dihedral angle of only 0.70?(4)°]. The crystal packing is driven by co-operative contacts involving weak C-H?N and C-H?? inter-actions, and also the need to fill effectively the available space.

SUBMITTER: Amarante TR

PROVIDER: S-EPMC2977408 | biostudies-literature | 2009 Jul

REPOSITORIES: biostudies-literature

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4,4'-Di-tert-butyl-2,2'-bipyridine.

Amarante Tatiana R TR Figueiredo Sónia S Lopes André D AD Gonçalves Isabel S IS Almeida Paz Filipe A FA

Acta crystallographica. Section E, Structure reports online 20090731 Pt 8

In the title compound, C(18)H(24)N(2), the mol-ecular unit adopts a trans conformation around the central C-C bond [N-C-C-N torsion angle of 179.2 (3)°], with the two aromatic rings almost coplanar [dihedral angle of only 0.70 (4)°]. The crystal packing is driven by co-operative contacts involving weak C-H⋯N and C-H⋯π inter-actions, and also the need to fill effectively the available space. ...[more]

PMID: 21583710

Similar Datasets

Substituted 2,2'-bipyridines by nickel-catalysis: 4,4'-di-tert-butyl-2,2'-bipyridine.

Project description:A simple, ligand-free synthesis of the important bipyridyl ligand 4,4'-di-tert-butyl-2,2'-bipyridine is presented. 5,5'-bis(trifluoromethyl)-2,2'-bipyridine is also synthesized by the same protocol. The syntheses efficiently couple the parent 2-chlorpyridies by a nickel-catalyzed dimerization with manganese powder as the terminal reductant.

| S-EPMC4160121 | biostudies-literature

4,4'-Di-tert-butyl-2,2'-dipyridinium dichloride.

Project description:In the title compound, C(18)H(26)N(2) (2+)·2Cl(-), the complete dication is generated by crystallographic inversion symmetry; both N atoms are protonated and engaged in strong and highly directional N-H?Cl hydrogen bonds. Additional weak C-H?Cl contacts promote the formation of a tape along ca. [110]. The crystal structure can be described by the parallel packing of these tapes. The crystal studied was a non-merohedral twin with twin law [-1 0 0, 0 -1 0, -0.887 0.179 1] and the final BASF parameter refining to 0.026?(2) .

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(4,4'-Di-tert-butyl-2,2'-bipyridine-?N,N')bis-(nitrato-?O,O')copper(II).

Project description:In the crystal of the title compound, [Cu(NO(3))(2)(C(18)H(24)N(2))], the Cu(II) ion is coordinated by two N atoms of the bipyridine ligand and four O atoms from the two nitrate anions in a distorted octahedral fashion. The dihedral angle between the planes of the two pyridine rings is 11.52?(10)°. In the crystal structure, weak C-H?O inter-actions may help to establish the packing.

| S-EPMC2968272 | biostudies-literature

?-Oxido-bis-[chlorido(4,4'-di-tert-butyl-2,2'-bipyridine-?N,N')dioxido-molybdenum(VI)] 0.2-hydrate.

Project description:The title hydrate, [Mo(2)Cl(2)O(5)(C(18)H(24)N(2))(2)]·0.2H(2)O, has been isolated as the oxidation product of [Mo(?(3)-C(3)H(5))Cl(CO)(2)(di-t-Bu-bipy)] (where di-t-Bu-bipy is 4,4'-di-tert-butyl-2,2'-bipyridine). A ?-oxide ligand bridges two similar MoCl(di-t-Bu-bipy)O(2) units, having the terminal oxide ligands mutually cis, and the chloride and ?-oxide trans to each other. In the binuclear complex, the coordination geometries of the metal atoms can be described as highly distorted octa-hedra. Individual complexes co-crystallize with a partially occupied water mol-ecule of crystallization (occupancy factor = 0.20; H atoms not located), with the crystal packing being mediated by the need to effectively fill the available space. A number of weak C-H?O and C-H?Cl inter-actions are present.

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4,4'-Di-tert-butyl-2,2'-[imidazolidine-1,3-diylbis(methyl-ene)]diphenol.

Project description:In the title compound, C25H36N2O2, the two tert-butyl-substituted benzene rings are inclined at an angle of 53.5?(3)° to one another. The imidazolidine ring has an envelope conformation with with one of the C atoms of the ethylene fragment as the flap. The structure displays two intra-molecular O-H?N hydrogen bonds that generate S(6) ring motifs. The crystal studied was a non-merohedral twin with a fractional contribution of 0.281(6) for the minor domain.

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1,1'-Di-tert-butyl-2,2',3,3',4,4',5,5'-octa-ethyl-1,1'-bis-tannole.

Project description:The title compound, [Sn(2)(C(4)H(9))(2)(C(12)H(20))(2)], has two 1-stannacyclo-penta-diene skeletons related by inversion symmetry located at the mid-point of the Sn-Sn bond [2.7682 (2) Å]. Thus, the asymmetric unit comprises one half-mol-ecule. The planarity of the stannacyclo-penta-diene ring is illustrated by the dihedral angle of 0.3 (1)°, defined by the C(4) and C-Sn-C planes. To avoid steric repulsion, the two stannole rings are oriented in an anti fashion through the Sn-Sn bond. These structural features are similar to those of other bis-tannoles.

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Di-tert-butyl 2,2'-[(biphenyl-4,4'-diyl)-dioxy]diacetate.

Project description:The complete molecule of the title compound, C(24)H(30)O(6), is generated by a crystallographic inversion centre. In the unique part of the mol-ecule, the four-atom -O-CH(2)-C(= O)-O- chain between the benzene ring and the tert-butyl group assumes a zigzag conformation [O-C-C-O torsion angle = -162.3?(1)°].

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Tris(4,4'-di-tert-butyl-2,2'-bipyridine-?N,N')molybdenum(II) ?(6)-oxido-dodeca-?(2)-oxido-hexa-oxidohexa-molybdate(VI) acetonitrile tetra-solvate.

Project description:The asymmetric unit of the title compound, [Mo(C(18)H(24)N(2))(3)][Mo(6)O(19)]·4CH(3)CN, comprises an [Mo(di-t-Bu-bipy)(3)](2+) cation (di-t-Bu-bipy is 4,4'-di-tert-butyl-2,2'-bipyridine), two halves of Lindqvist-type [Mo(6)O(19)](2-) anions (with each anion completed by the application of a center of inversion) and four acetonitrile solvent mol-ecules. The geometry around the metal atom of the cation resembles a distorted octa-hedron, with each of the three di-t-Bu-bipy ligands being almost planar [deviation from planarity < 6.3?(2)°]. Supra-molecular inter-actions, namely Mo=O??, C N??, C-H?O and C-H?N, along with electrostatic forces, mediate the crystal packing. Two of the tert-butyl groups are affected by rotational disorder which was modeled over two distinct positions with major site occupancies of 0.707?(9) and 0.769?(8).

| S-EPMC3238728 | biostudies-literature

Di-tert-butyl (1,1'-binaphthyl-2,2'-di-oxy)diacetate.

Project description:In the crystal structure of the title compound, C(32)H(34)O(6), the mol-ecule is located on a twofold rotation axis. The two naphthyl fused-ring systems are aligned at 72.6 (1)°. Weak intermolecular C-H⋯O hydrogen bonding is present in the crystal structure.

| S-EPMC2968877 | biostudies-literature

Di-chlorido-(4,4'-di-tert-butyl-2,2'-bi-pyridine-?(2) N,N')palladium(II) dimethyl sulfoxide monosolvate monohydrate.

Project description:The title compound, [PdCl2(C18H24N2)]·(CH3)2SO·H2O, the Pd(II) ion is in a distorted square-planar geometry. The Pd-N bond distances are 2.022?(2) and 2.027?(2)?Å, the Pd-Cl bond distances are 2.2880?(7) and 2.2833?(7)?Å, and the ligand bite angle is 80.07?(9)°. The dimethyl sulfoxide and water mol-ecules form linear chains along [100] by O-H?O and O-H?S hydrogen bonds, generating eight- and 12-membered rings. C-H?Cl inter-actions link the chains, forming a three-dimensional arrangement. In addition, the 4,4-di-tert-butyl-2,2'-bi-pyridine ligand exhibits ?-? stacking inter-actions [centroid-centroid distances = 3.8741?(15) and 3.8353?(15)?Å]. The DMSO solvent is disordered and was refined with an occupancy ratio of 0.866?(3):0.134?(3).

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