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N,N-Bis(2-pyrid-yl)formamidine.

ABSTRACT: In the crystal structure of the title compound, C(11)H(10)N(4), the dihedral angle between the two pyridyl rings is 36.1?(1)°. The mol-ecules are connected via two strong N-H?N and two weak C-H?N hydrogen bonds into dimers, which are located on centers of inversion. This compound adopts the s-trans-anti-s-cis conformation in the solid state.

SUBMITTER: Wu CJ

PROVIDER: S-EPMC2968593 | biostudies-literature | 2009 Feb

REPOSITORIES: biostudies-literature

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N,N-Bis(2-pyrid-yl)formamidine.

Wu Chia-Jun CJ Su Chang-Wei CW Yeh Chun-Wei CW Chen Jhy-Der JD Wang Ju-Chun JC

Acta crystallographica. Section E, Structure reports online 20090218 Pt 3

In the crystal structure of the title compound, C(11)H(10)N(4), the dihedral angle between the two pyridyl rings is 36.1 (1)°. The mol-ecules are connected via two strong N-H⋯N and two weak C-H⋯N hydrogen bonds into dimers, which are located on centers of inversion. This compound adopts the s-trans-anti-s-cis conformation in the solid state. ...[more]

PMID: 21582196

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N,N-Bis(6-methyl-2-pyrid-yl)formamidine.

Project description:In the crystal structure of the title mol-ecule, C(13)H(14)N(4), the two pyridyl rings are not coplanar but twisted about the C-N bond with an inter-planar angle of 71.1?(1)°. In the crystal, the mol-ecules form dimers, situated on crystallographic centres of inversion, which are connected via a pair of N-H?N hydrogen bonds. C-H??-electron ring inter-actions are also present in the crystal structure. The title mol-ecule adopts an s-cis-anti-s-cis conformation in the solid state.

| S-EPMC2977833 | biostudies-other

3,4-Bis(2-pyrid-yl)-5-(3-pyrid-yl)-4H-1,2,4-triazole.

Project description:In the title mol-ecule, C(17)H(12)N(6), the 2-pyridyl rings in the 3- and 4-positions and the 3-pyridyl ring in the 5-position make dihedral angles of 29.78?(16), 67.06?(16) and 32.97?(16)°, respectively, with the triazole group. The dihedral angle between the two 2-pyridyl rings is 65.72?(15)°. The dihedral angles between the 3-pyridyl ring and the two 2-pyridyl rings in the 3- and 4-positions are 61.28?(15) and 63.11?(15)°, respectively. In the crystal, C-H?? and ?-? inter-actions [centroid-centroid distance = 3.6248?(19)?Å] link the mol-ecules, forming a two-dimensional network.

| S-EPMC3089253 | biostudies-literature

Redetermination of (E)-N,N'-bis-(4-bromo-phen-yl)formamidine.

Project description:In comprison with the previous structural study [Anulewicz et al. (1991 ?). Pol. J. Chem.65, 465-471], for which only the coordinates of all non-H atoms and of some H atoms were reported, the current redetermination of the title compound, C(13)H(10)Br(2)N(2), additionally reports anisotropic displacement parameters for all non-H atoms and the coordinates of all H atoms, accompanied by higher accuracy of the geometric parameters. Two independent half-mol-ecules are present in the asymmetric unit, which are completed by a twofold rotation axis as symmetry element. In the crystal, inter-molecular N-H?N hydrogen bonds link the mol-ecules into dimers. Linear chains parallel to [102] are formed by inter-molecular Br?Br inter-actions of 3.4328?(7)?Å between two Br atoms of adjacent mol-ecules. The dihedral angles between the benzene rings are 50.05?(15) and 75.61?(11)° in the two independent molecules. Owing to the twofold symmetry of the mol-ecules, H atoms attached to the N atoms are only half-occupied, leading to them being disordered over two positions of equal occupancy.

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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

Bis(?-bis-{[4-(2-pyrid-yl)pyrimidin-2-yl]sulfan-yl}methane)-disilver(I) bis-(perchlorate).

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| S-EPMC3011527 | biostudies-literature

Sulfonated 1,3-bis-(4-pyrid-yl)propane.

Project description:In the title compound, 4-[3-(3-sulfonato-pyridin-1-ium-4-yl)prop-yl]pyridin-1-ium-3-sulfonate, C(13)H(14)N(2)O(6)S(2), the mol-ecule is zwitterionic, with the sulfonic acid proton transfered to the basic pyridine N atom. Also, the structure adopts a butterfly-like conformation with the sulfonate groups on opposite sides of the 'wings'. The dihedral angle between the two pyridinium rings is 83.56?(7)°, and this results in the mol-ecule having a chiral conformation and packing. There is strong inter-molecular hydrogen bonding between the pyridinium H and sulfonate O atoms of adjoining mol-ecules. In addition, there are weaker inter-molecular C-H?O inter-actions.

| S-EPMC3120508 | biostudies-literature

Di-?-bromido-bis-({bis-[2-(2-pyrid-yl)eth-yl]amine}copper(II)) bis-(perchlorate).

Project description:Each Cu atom in the dinuclear centrosymmetric title complex, [Cu(2)Br(2)(C(14)H(17)N(3))(2)](ClO(4))(2), is ligated in a distorted square-pyramidal geometry (? = 0.31) by a tridentate bis-[2-(2-pyrid-yl)eth-yl]amine ligand, and by two bridging Br atoms. In addition, the dinuclear species is stabilized by two hydrogen-bonded perchlorate anions.

| S-EPMC2960247 | biostudies-literature

Hg(II) Coordination Polymers Based on N,N'-bis(pyridine-4-yl)formamidine.

Project description:Reactions of N,N'-bis(pyridine-4-yl)formamidine (4-Hpyf) with HgX₂ (X = Cl, Br, and I) afforded the formamidinate complex {[Hg(4-pyf)₂]·(THF)}n, 1, and the formamidine complexes {[HgX₂(4-Hpyf)]·(MeCN)}n (X = Br, 2; I, 3), which have been structurally characterized by X-ray crystallography. Complex 1 is a 2D layer with the {4⁴·6²}-sql topology and complexes 2 and 3 are helical chains. While the helical chains of 2 are linked through N⁻H···Br hydrogen bonds, those of 3 are linked through self-complementary double N⁻H···N hydrogen bonds, resulting in 2D supramolecular structures. The 4-pyf- ligands of 1 coordinate to the Hg(II) ions through one pyridyl and one adjacent amine nitrogen atoms and the 4-Hpyf ligands of 2 and 3 coordinate to the Hg(II) ions through two pyridyl nitrogen atoms, resulting in new bidentate binding modes. Complexes 1⁻3 provide a unique opportunity to envisage the effect of the halide anions of the starting Hg(II) salts on folding and unfolding the Hg(II) coordination polymers. Density function theory (DFT) calculation indicates that the emission of 1 is due to intraligand π→π * charge transfer between two different 4-pyf- ligands, whereas those of 2 and 3 can be ascribed to the charge transfer from non-bonding p-type orbitals of the halide anions to π * orbitals of the 4-pyf- ligands (n→π *). The gas sorption properties of the desolvated product of 1 are compared with the Cu analogues to show that the nature of the counteranion and the solvent-accessible volume are important in determining their adsorption capability.

| S-EPMC6432418 | biostudies-literature

Tetra-?-benzoato-bis-{[trans-1-(2-pyrid-yl)-2-(4-pyrid-yl)ethyl-ene]zinc(II)}.

Project description:The paddle-wheel-type centrosymmetric dinuclear title complex, [Zn(2)(C(7)H(5)O(2))(4)(C(12)H(10)N(2))(2)], contains four bridging benzoate groups and two terminal trans-1-(2-pyrid-yl)-2-(4-pyrid-yl)ethyl-ene (L) ligands. The inversion center is located between the two Zn(II) atoms. The octa-hedral coordination around the Zn(II) atom, with four O atoms in the equatorial plane, is completed by an N atom of the L mol-ecule [Zn-N = 2.0198?(15)?Å] and by the second Zn(II) atom [Zn?Zn = 2.971?(8)?Å]. The Zn(II) atom is 0.372?Å out of the plane of the four coordinating O atoms.

| S-EPMC2972024 | biostudies-literature

catena-Poly[[aqua-[3-(3-pyrid-yl)acrylato]gadolinium(III)]-bis-[?-3-(3-pyrid-yl)acrylato]].

Project description:In the title compound, [Gd(C(8)H(6)NO(2))(3)(H(2)O)](n), the gadolinium(III) ion is coordinated by eight carboxyl-ate O atoms and one water mol-ecule. The carboxyl-ate ligands bridge pairs of gadolinium(III) ions, forming a zigzag chain along [100]. Hydrogen bonds link the chains into sheets parallel to (001).

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