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Crystal structure of 2,5-bis-(4-methyl-pyridin-2-yl)pyrazine chloro-form disolvate.

ABSTRACT: The heterocyclic molecule in the title solvate, C16H14N4·2CHCl3, possesses inversion symmetry, with the inversion centre situated at the centre of the pyrazine ring. The outer pyridine rings are inclined to the central pyrazine ring by 4.89 (9)°. The compound crystallized as a chloro-form disolvate with the solvent mol-ecules linked to the title mol-ecule by C-H⋯N hydrogen bonds. In the crystal, mol-ecules are further linked by π-π inter-actions involving the pyrazine and pyridine rings of neighbouring mol-ecules [inter-centroid distance = 3.5629 (12) Å; symmetry code: x, y + 1, z + 1].

SUBMITTER: Schmitt L

PROVIDER: S-EPMC4186168 | biostudies-literature | 2014 Sep

REPOSITORIES: biostudies-literature

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Crystal structure of 2,5-bis-(4-methyl-pyridin-2-yl)pyrazine chloro-form disolvate.

Schmitt Laurette L Stoeckli-Evans Helen H

Acta crystallographica. Section E, Structure reports online 20140801 Pt 9

The heterocyclic molecule in the title solvate, C16H14N4·2CHCl3, possesses inversion symmetry, with the inversion centre situated at the centre of the pyrazine ring. The outer pyridine rings are inclined to the central pyrazine ring by 4.89 (9)°. The compound crystallized as a chloro-form disolvate with the solvent mol-ecules linked to the title mol-ecule by C-H⋯N hydrogen bonds. In the crystal, mol-ecules are further linked by π-π inter-actions involving the pyrazine and pyridine rings of neigh ...[more]

PMID: 25309239

Similar Datasets

Crystal structure of tri-aqua-(2,6-di-methyl-pyrazine-κN (4))bis-(thio-cyanato-κN)manganese(II) 2,5-di-methyl-pyrazine disolvate.

Project description:In the crystal structure of the title complex, [Mn(NCS)2(C6H8N2)(H2O)3]·2C6H8N2, the Mn(II) cation is coordinated by two terminally N-bonded thio-cyanate anions, three water mol-ecules and one 2,6-di-methyl-pyrazine ligand within a slightly distorted N3O3 octa-hedral geometry; the entire complex mol-ecule is generated by the application of a twofold rotation axis. The asymmetric unit also contains an uncoordinating 2,5-di-methyl-pyrazine ligand in a general position. Obviously, the coordination to the 2,6-di-methyl-pyrazine ligand is preferred because coordination to the 2,5-di-methyl-pyrazine is hindered due to the bulky methyl group proximate to the N atom. The discrete complexes are linked by water-O-H⋯N(2,6-di-methyl-pyzazine/2,5-di-methyl-pyza-zine) hydrogen bonding, forming a three-dimensional network. In the crystal, mol-ecules are arranged in a way that cavities are formed in which unspecified, disordered solvent molecules reside. These were modelled employing the SQUEEZE routine in PLATON [Spek (2015 ▸). Acta Cryst. C71, 9-18]. The composition of the unit cell does not take into account the presence of the unspecified solvent.

| S-EPMC4719844 | biostudies-literature

2,5-Bis[(E)-2-phenylethenyl]-3,6-bis(pyridin-2-yl)pyrazine

Project description:The title molecule has inversion symmetry, adopting the shape of a St Andrew’s cross. It shows dihedral angles between adjacent aryl units of around 50° whereas torsion angles of ca 10° are found along the arylene vinylene path. The molecule of the title compound, C30H22N4, exhibits inversion symmetry adopting the shape of a St Andrew’s Cross. It shows dihedral angles between adjacent aryl units of around 50° whereas torsion angles of ca 10° are found along the arylene vinylene path.

| S-EPMC9462200 | biostudies-literature

Bis[μ-1-(3,5-di-chloro-pyridin-2-yl)-2-(pyridin-3-yl-methyl-idene)hydrazine]bis-[(nitrato-κO)silver(I)] aceto-nitrile disolvate.

Project description:In the centrosymmetric binuclear title complex, [Ag2(NO3)2(C11H8Cl2N4)2]·2CH3CN, the Ag(I) atom is four-coordinated and exhibits a highly distorted tetrahedral coordination sphere defined by three N atoms from two 1-(3,5-di-chloro-pyridin-2-yl)-2-(pyridin-3-yl-methyl-idene)hy-drazine ligands and one O atom from a nitrate anion. Inter-molecular N-H⋯O hydrogen bonds link the complex mol-ecules, resulting in a two-dimensional supra-molecular structure parallel to (001).

| S-EPMC3790340 | biostudies-literature

(5-Methyl-pyrazine-2-carboxyl-ato-κ(2) N (1),O)bis-[2-(4-methyl-pyridin-2-yl-κN)-3,5-bis-(tri-fluoro-meth-yl)phenyl-κC (1)]iridium(III) chloro-form hemisolvate.

Project description:In the title complex, [Ir(C14H8F6N)2(C6H5N2O2)]·0.5CHCl3, the Ir(III) atom adopts a distorted octa-hedral geometry, being coordinated by three N atoms (arranged meridionally), two C atoms and one O atom of three bidentate ligands. The complex mol-ecules pack with no specific inter-molecular inter-actions between them. The SQUEEZE procedure in PLATON [Spek (2009 ▶). Acta Cryst. D65, 148-155] was used to model a disordered chloro-form solvent mol-ecule; the calculated unit-cell data allow for the presence of half of this mol-ecule in the asymmetric unit.

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Bis[2-({[2-(methyl-sulfan-yl)phen-yl]imino}-meth-yl)phenolato-κ(2) N,O]zinc chloro-form disolvate.

Project description:The monomeric title complex, [Zn(C14H12NOS)2]·2CHCl3 or L2Zn·2CHCl3, where L is the 2-({[2-(methyl-sulfan-yl)phen-yl]imino}-meth-yl)phenolate anion, may be obtained by the reaction of LZnEt with benzyl alcohol or by the reaction of two equivalents of LH with ZnEt2 in tetra-hydro-furan. The Zn atom, located on a twofold axis, is four-coordinated in a distorted tetra-hedral geometry by two O atoms [Zn-O = 1.9472 (19) Å] from the phenolate anions and two imine N atoms [Zn-N = 2.054 (2) Å].

| S-EPMC3588749 | biostudies-literature

Crystal structure of 7,7'-[(pyridin-2-yl)methyl-ene]bis-(5-chloro-quinolin-8-ol).

Project description:In the title compound, C24H15Cl2N3O2, one quinoline ring system is essentially planar and the other is slightly bent. An intra-molecular O-H⋯N hydrogen bond involving the hy-droxy group and a pyridine N atom forms an S(5) ring motif. In the crystal, two mol-ecules are associated into an inversion dimer with two R 2 2(7) ring motifs through inter-molecular O-H⋯N and O-H⋯O hydrogen bonds. The dimers are further linked by an inter-molecular C-H⋯O hydrogen bond and four C-H⋯π inter-actions, forming a two-dimensional network parallel to (001).

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Crystal structure of di-aqua-bis-(2,6-di-methyl-pyrazine-κN)bis-(thio-cyanato-κN)cobalt(II) 2,5-di-methyl-pyrazine tris-olvate.

Project description:In the crystal structure of the title compound, [Co(NCS)2(C6H8N2)2(H2O)2]·3C6H8N2, the Co(II) cation is coordinated by two terminally N-bound thio-cyanate anions, two water mol-ecules and two 2,6-di-methyl-pyrazine ligands, forming a discrete complex with a slightly distorted octa-hedral N4O2 coordination environment. The asymmetric unit contains one Co(II) cation and three halves of 2,5-di-methyl-pyrazine solvate mol-ecules, all entities being completed by inversion symmetry, as well as one thio-cyanate anion, an aqua ligand and a 2,6-di-methyl-pyrazine ligand, all in general positions. In the crystal, discrete complexes are arranged in a way that cavities are formed where the noncoordinating 2,5-di-methyl-pyrazine mol-ecules are located. The coordination of the latter to the metal is prevented due to the bulky methyl groups in vicinal positions to the N atoms, leading to a preferential coordination through the 2,6-di-methyl-pyrazine ligands. The complex mol-ecules are linked by O-H⋯N hydrogen bonds between the water H atoms and the N atoms of 2,5-di-methyl-pyrazine solvent mol-ecules, leading to a layered structure extending parallel to (100).

| S-EPMC4719868 | biostudies-literature

Crystal structure of di-aqua-bis-(2,6-di-methyl-pyrazine-κN (4))bis-(thio-cyanato-κN)cobalt(II) 2,5-di-methyl-pyrazine monosolvate.

Project description:In the crystal structure of the title compound, [Co(NCS)2(C6H8N2)2(H2O)2]·C6H8N2, the Co(II) cation is coordinated by the N atoms of two terminal thio-cyanate anions, the O atoms of two water mol-ecules and two N atoms of two 2,6-di-methyl-pyrazine ligands. The coordination sphere of the resulting discrete complex is that of a slightly distorted octa-hedron. The asymmetric unit comprises a Co(II) cation and half of a 2,5-di-methyl-pyrazine ligand, both of which are located on centres of inversion, and a water ligand, a 2,6-di--methyl-pyrazine ligand and one thio-cyanate anion in general positions. In the crystal, the discrete complexes are arranged in such a way that cavities are formed in which the 2,5-di-methyl-pyrazine solvent mol-ecules are located. The coordination of the 2,5-di-methyl-pyrazine mol-ecules to the metal is apparently hindered due to the bulky methyl groups in vicinal positions to the N atoms, leading to a preferential coordination of the 2,6-di-methyl-pyrazine ligands. The discrete complexes are linked by O-H⋯N hydrogen bonds between one water H atom and the non-coordinating N atom of the 2,6-di-methyl-pyrazine ligands. The remaining water H atom is hydrogen bonded to one N atom of the 2,5-di-methyl-pyrazine solvent mol-ecule. This arrangement leads to the formation of a two-dimensional network extending parallel to (010).

| S-EPMC4719854 | biostudies-literature

Bis{μ-2-[bis-(pyridin-2-yl)methyl-idene]hydrazinecarbothio-amidato}bis-[bromido-copper(II)] methanol disolvate.

Project description:In the centrosymmetric binuclear title compound, [Cu(2)Br(2)(C(12)H(10)N(5)S)(2)]·2CH(3)OH, the Cu(II) ion adopts a slightly dis-torted square-pyramidal coordination geometry. The hydrazine carbothio-amide moiety and one of the pyridyl rings together adopt an almost planar arrangement, with a maximum deviation of 0.052 (4) Å for the C atom of the thio-urea moiety. There are two mol-ecules of methanol solvent per complex in the asymmetric unit. The nonconventional intra-molecular C-H⋯Br hydrogen bonds make the mol-ecule more rigid, whereas the conventional N-H⋯N and O-H⋯Br inter-molecular hydrogen-bonding inter-actions, supported with N-H⋯π inter-actions, establish a supra-molecular linkage among the mol-ecules in the crystal. An intermolecular C-H⋯O inter-action is also present.

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Dicyclo-hexyl-bis-(naphthalen-1-ylmeth-yl)phospho-nium chloride chloro-form disolvate.

Project description:In the title solvated phosphonium salt, C34H40P(+)·Cl(-)·2CHCl3, the two cyclo-hexyl and two 1-naphthyl-methyl groups at the P atom are in a distorted tetra-hedral arrangement [105.26 (6)-113.35 (6)°]. Both cyclo-hexyl rings adopt a chair conformation. The dihedral angle between the naphthyl ring systems is 74.08 (3)°.

| S-EPMC3588969 | biostudies-literature

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