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Crystal structure of 2,6-bis-[(1H-pyrazol-1-yl)meth-yl]pyridine.

ABSTRACT: In the title compound, C13H13N5, the planes of the pyrazolyl groups are nearly perpendicular to that of the central pyridine ring, making dihedral angles of 87.77?(8) and 85.73?(7)°. In the crystal, weak C-H?N hydrogen bonds link the mol-ecules into layers extending parallel to (10-1).

SUBMITTER: Son KS

PROVIDER: S-EPMC4186076 | biostudies-literature | 2014 Sep

REPOSITORIES: biostudies-literature

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Crystal structure of 2,6-bis-[(1H-pyrazol-1-yl)meth-yl]pyridine.

Son Kyung-Sun KS Woo Jeong Oh JO Kim Daeyoung D Kang Sung Kwon SK

Acta crystallographica. Section E, Structure reports online 20140806 Pt 9

In the title compound, C13H13N5, the planes of the pyrazolyl groups are nearly perpendicular to that of the central pyridine ring, making dihedral angles of 87.77 (8) and 85.73 (7)°. In the crystal, weak C-H⋯N hydrogen bonds link the mol-ecules into layers extending parallel to (10-1). ...[more]

PMID: 25309287

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Crystal structure of 2-[bis(1H-pyrazol-1-yl)meth-yl]pyridine.

Project description:The title compound, C12H11N5, was synthesized as a potential tridentate ligand to make catalytic metal complexes. The dihedral angle between the pyrazolyl rings is 67.9 (1)°. The most prominent feature in the crystal packing are C-H⋯N hydrogen-bonding inter-actions that link the mol-ecules into a supra-molecular tape along the b-axis direction.

| S-EPMC4571400 | biostudies-literature

Crystal structure of di-chlorido-{2,6-bis-[(3-phenyl-1H-pyrazol-1-yl)meth-yl]pyridine}cobalt(II).

Project description:In the title complex, [CoCl2(C25H21N5)], the Co(II) atom is coordinated by two Cl atoms and two N atoms, provided by a tridentate pyrazolylpyridyl ligand, forming a slightly distorted tetra-hedral geometry [range of angles: 96.51 (10) (chelate ring) to 118.60 (9)°]. The dihedral angle between Cl/Co/Cl and N/Co/N planes is 86.83 (7)°. The chelate ring has the conformation of a distorted boat. The dihedral angle between pyridyl ring and the coordinated pyrazolyl ring is 56.16 (12)°. The uncoordinated pyrazolyl ring is almost perpendicular to the pyridyl ring with the dihedral angle of 87.49 (10)°. In the crystal packing, inter-molecular phenyl-C-H ⋯π(pyrid-yl) inter-actions generate dimeric aggregates. These are connected into a zigzag supra-molecular chain along the c-axis direction via π-π inter-actions [inter-centroid distance between pyridyl and phenyl rings = 3.664 (2) Å].

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2,6-Bis(3-phenyl-1H-pyrazol-5-yl)pyridine monohydrate.

Project description:In the title compound, C(23)H(17)N(5)·H(2)O, the pyrazole rings are slightly twisted from the central pyridine ring, forming dihedral angles of 5.3 (2) and 3.5 (2)°. The pyrazole and phenyl rings on each side of the pyridine ring are also approximately coplanar, making dihedral angles of 6.0 (2) and 4.5 (2)°. In the crystal structure, 2,6-bis-(3-phenyl-1H-pyrazol-5-yl)pyridine and water mol-ecules are linked together via N-H⋯O and O-H⋯N hydrogen bonds, forming a column running parallel to the a axis.

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Crystal structure of catena-poly[[silver(I)-{μ-2,6-bis-[(1H-pyrazol-1-yl)meth-yl]pyridine-κ(3) N (1),N (2):N (2')}] nitrate].

Project description:In the title complex, {[Ag(C13H13N5)]NO3} n , the Ag(I) atom is coordinated by three N atoms from two bidentate/monodentate pyrazolylpyridyl ligands to form a distorted trigonal-planar geometry [range of angles: 83.34 (6) (chelate ring) to 139.15 (7) °]. The chelate ring has a distorted boat conformation. The dihedral angle between the pyridyl ring and the coordinating pyrazolyl ring is 67.22 (6)°. The non-coordinating pyrazolyl ring is twisted by 62.97 (7)° from the pyridyl ring. In the crystal, the complex cations are arranged in polymeric chains along the c-axis direction, with the nitrate counter-anions situated in between. Weak C-H⋯O hydrogen bonds link the ions into a three-dimensional network.

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2,6-Bis(1-isopropyl-5-phenyl-1H-pyrazol-3-yl)pyridine.

Project description:In the title compound, C(29)H(29)N(5), the central pyridine ring and the two pyrazole rings are approximately coplanar, the dihedral angles between the pyridine and pyrazole rings being 3.94 (12) and 14.84 (12)°. The pyrazole and phenyl rings on each side of the mol-ecule are twisted with dihedral angles of 46.72 (8) and 73.39 (8)°. One phenyl ring inter-acts with a pyrazole ring of a neighbouring mol-ecule via a weak inter-molecular C-H⋯π inter-action, which stabilizes the mol-ecular packing.

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Crystal structures of 2,6-bis-[(1H-1,2,4-triazol-1-yl)meth-yl]pyridine and 1,1-[pyridine-2,6-diylbis(methyl-ene)]bis-(4-methyl-1H-1,2,4-triazol-4-ium) iodide triiodide.

Project description:In the structures of the 2,6-bis-(1,2,4-triazoly-3-yl)methyl-substituted pyridine compound, C11H11N7, (I) and the iodide triiodide salt, C13H17N7 (2+)·I(-)·I3 (-), (II), the dihedral angles between the two triazole rings and the pyridine ring are 66.4 (1) and 74.6 (1)° in (I), and 68.4 (2)° in (II), in which the dication lies across a crystallographic mirror plane. The overall packing structure for (I) is two-dimensional with the layers lying parallel to the (001) plane. In (II), the triiodide anion lies within the mirror plane, occupying the space between the two triazole substituent groups and was found to have minor disorder [occupancy ratio 0.9761 (9):0.0239 (9)]. The overall packing of structure (II) can be described as two-dimensional with the layers stacking parallel to the (001) plane. In the crystal, the predominant inter-molecular inter-actions in (I) and (II) involve the acidic hydrogen atom in the third position of the triazole ring, with either the triazole N-atom acceptor in weak C-H⋯N hydrogen bonds in (I), or with halide counter-ions through C-H⋯I inter-actions, in (II).

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Bis(acetato-κO,O')[2,6-bis-(1H-pyrazol-3-yl-κN)pyridine-κN]manganese(II).

Project description:In the title complex, [Mn(CH(3)CO(2))(2)(C(11)H(9)N(5))], the Mn(II) atom is coordinated by the pyridine N atom and two pyrazole N atoms from a 2,6-bis-(pyrazol-3-yl)pyridine ligand and four O atoms from two bidentate acetate ligands. The complex mol-ecules are linked by inter-molecular N-H⋯O hydrogen bonds into a chain along [010]. π-π inter-actions between the pyridine rings and between the pyrazole rings [centroid-centroid distances = 3.772 (2) and 3.546 (2) Å] connect the chains.

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2,6-Bis(bromo-meth-yl)pyridine.

Project description:In the title mol-ecule, C7H7Br2N, the C-Br vectors of the bromo-methyl groups extend to opposite sides of the pyridine ring and are oriented nearly perpendicular to its plane. In the crystal, the mol-ecules related by a c-glide-plane operation are arranged into stacks along the c axis, with centroid-centroid distances between neighboring aromatic rings of 3.778?(2)?Å. A short Br?Br contact of 3.6025?(11)?Å is observed within a pair of inversion-related mol-ecules.

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Bis{2-[bis-(3,5-dimethyl-1H-pyrazol-1-yl-?N)meth-yl]pyridine-?N}copper(II) dinitrate.

Project description:In the mononuclear title complex, [Cu(C(16)H(19)N(5))(2)](NO(3))(2), the Cu(II) ion is located on a twofold rotation axis and is six-coordinated by six N atoms from two 2-[bis-(3,5-dimethyl-1H-pyrazol-1-yl)meth-yl]pyridine ligands, forming a distorted octa-hedral geometry. In the crystal, mol-ecules are linked by weak C-H?O inter-actions.

| S-EPMC3238617 | biostudies-literature

Bis[2,6-bis-(3,5-dimethyl-1H-pyrazol-1-yl)pyridine]di-?(3)-iodido-diiodidotetra-copper(I).

Project description:In the title centrosymmetric tetra-nuclear complex, [Cu(4)I(4)(C(15)H(17)N(5))(2)], the two distinct Cu(I) atoms adopt similar tetra-hedral arrangements, each being ligated by two I atoms, and two N atoms from one 2,6-bis-(3,5-dimethyl-1H-pyrazol-1-yl)pyridine ligand. In the crystal, there are no hydrogen bonds present, and only very weak ?-? inter-actions are observed [centroid-centroid distance = 3.985?(4)?Å], which connect neighbouring tetra-nuclear units into a chain motif along the b axis.

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