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Crystal structure of 1,1'-(pyridine-2,6-di-yl)bis-[N-(pyridin-2-ylmeth-yl)methanaminium] dichloride dihydrate.

ABSTRACT: In the title compound, C₁₉H₂₃N₅ ²⁺·2Cl^-·2H₂O, the two pyridine side arms are not coplanar, with the terminal pyridine rings subtending a dihedral angle of 26.45 (6)°. In the crystal, hydrogen bonds, inter-molecular C-H⋯Cl contacts and a weak C-H⋯O inter-action connect the mol-ecule with neighbouring chloride counter-anions and lattice water mol-ecules. The crystal packing also features by π-π inter-actions with centroid-centroid distances of 3.4864 (12) and 3.5129 (13) Å.

SUBMITTER: Merabet L

PROVIDER: S-EPMC8647756 | biostudies-literature |

REPOSITORIES: biostudies-literature

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Crystal structure of N,N'-bis-(pyridin-4-ylmeth-yl)cyclo-hexane-1,4-di-ammonium dichloride dihydrate.

Project description:Treatment of N,N-bis-(pyridin-4-ylmeth-yl)cyclo-hexane-1,4-di-amine with hydro-chloric acid in ethanol led to the formation of the title salt, C18H26N42+·2Cl-·2H2O, which lies about a crystallographic inversion center at the center of the cyclo-hexyl ring. The asymmetric unit therefore comprises one half of the N,N-bis-(pyridin-4-ylmeth-yl)cyclo-hexane-1,4-di-ammonium dication, a chloride anion, and a solvent water mol-ecule. In the dication, the two trans-(4-pyridine)-CH2-NH2- moieties occupy equatorial sites at the 1- and 4-positions of the central cyclo-hexyl ring, which is in a chair conformation. The terminal pyridine ring is tilted by 27.98 (5)° with respect to the mean plane of the central cyclo-hexyl moiety (r.m.s. deviation = 0.2379 Å). In the crystal, dications, anions, and solvent water mol-ecules are connected via N/C/O-H⋯Cl and N-H⋯O hydrogen bonds together with C-H⋯π inter-actions, forming a three-dimensional network.

| S-EPMC5050774 | biostudies-literature

1,1'-[4-(2,4-Dichloro-phen-yl)-2,6-di-methyl-1,4-di-hydro-pyridine-3,5-di-yl]diethanone.

Project description:In the title compound, C(17)H(17)Cl(2)NO(2), the central 1,4-dihydro-pyridine ring adopts a flattened-boat conformation. The ethanone substituents of the dihydro-pyridine ring at positions 3 and 5 have synperiplanar (cis) or anti-periplanar (trans) conformations with respect to the adjacent C=C bonds in the dihydro-pyridine ring. The 2,4-dichloro-phenyl ring is almost planar [r.m.s. deviation = 0.0045 (1) Å] and almost perpendicular [89.27 (3)°] to the mean plane of the dihydro-pyridine ring. In the crystal, an N-H⋯O hydrogen bond links mol-ecules into a zigzag chain along the ac diagonal. C-H⋯Cl contacts form centrosymmetric dimers and additional weak C-H⋯O contacts further consolidate the packing.

| S-EPMC3051630 | biostudies-literature

[3,3'-Dihy-droxy-3,3'-bis-(pyridin-3-yl-κN)-1,1'-(pyridine-2,6-di-yl)dipropan-1-one](nitrato-κO,O')silver(I).

Project description:In the title compound, a new macrocyclic metal complex, [Ag(NO(3))(C(21)H(15)N(3)O(4))], all non-H atoms are in a close-to-planar geometry (except for the nitrate anion), with a maximum out-of-plane deviation of 0.327 (6) Å for a pyridine C atom. The dihedral angle between the least-squares plane through the [3,3'-dihy-droxy-3,3'-bis-(pyridin-3-yl)-1,1'-(pyridine-2,6-di-yl)dipropan-1-one]silver(I) fragment and the nitrate anion is 31.29 (13)°. The mol-ecular structure is stabilized by several inter- and intra-molecular O-H⋯O and C-H⋯O hydrogen bonds. The Ag(I) atom is coordinated by two pyridine N atoms and two O atoms of the nitrate anion in a geometry intermediate between tetrahedral and square-planar.

| S-EPMC3152099 | biostudies-literature

Poly[[[?(2)-1,1'-(butane-1,4-di-yl)bis-(1H-imidazole)-?N:N](?(2)-2,6-di-methyl-pyridine-3,5-dicarboxyl-ato-?O:O)zinc] dihydrate].

Project description:In the title coordination polymer, {[Zn(C(9)H(7)NO(4))(C(10)H(14)N(4))]·2H(2)O}(n), the Zn(II) ion displays a distorted tetra-hedral geometry with two imidazole N atoms from two 1,1'-(butane-1,4-di-yl)bis-(imidazole) (bbi) ligands and two carboxyl-ate O atoms from two 2,6-dimethyl-pyridine-3,5-dicarboxyl-ate (dpdc) ligands. The bbi and dpdc ligands bridge the Zn(II) ions, forming layers parallel to (011). O-H?O and O-H?N hydrogen bonds and ?-? inter-actions between the imidazole rings [centroid-centroid distance = 3.807?(5)?Å] connect the layers. Two of the three uncoordinated water mol-ecules are disordered, each over two 0.25-occupancy positions.

| S-EPMC3201321 | biostudies-literature

4,4'-(Cyclo-hexane-1,1-di-yl)dianilinium dichloride monohydrate.

Project description:In the title compound, C(18)H(24)N(2) (2+)·2Cl(-)·H(2)O, both the cation and the water mol-ecule lie on a twofold crystallographic axis. In the cation, the two benzene rings are perpendicular to each other, making a symmetry-constrained dihedral angle of 90°. In the crystal, N-H⋯Cl, O-H⋯Cl and N-H⋯O hydrogen bonds result in the formation of a three-dimensional network.

| S-EPMC3200667 | biostudies-literature

6-Chloro-N-(pyridin-4-ylmeth-yl)pyridine-3-sulfonamide.

Project description:In the title sulfonamide derivative, C11H10ClN3O2S, the dihedral angle between the pyridine rings is 46.85?(12)°. The N atom of the chloro-pyridine ring is anti to the N-H bond. In the crystal, mol-ecules are linked through N-H?N hydrogen bonds into zigzag chains parallel to [001] with a C(7) graph-set motif.

| S-EPMC3885039 | biostudies-literature

1,1'-(Butane-1,4-di-yl)dipyridinium dibromide dihydrate.

Project description:The organic cation in the title compound, C(14)H(18)N(2) (2+)·2Br(-)·2H(2)O, is situated on an inversion centre. The cations, anions and water mol-ecules are linked via O-H⋯Br, C-H⋯Br and C-H⋯O hydrogen bonds, and π-π stacking inter-actions between adjacent pyridine rings, with a centroid-centroid separation of 3.8518 (17) Å.

| S-EPMC2960452 | biostudies-literature

Crystal structure of N,N'-bis-(pyridin-3-ylmeth-yl)cyclo-hexane-1,4-di-ammonium dichloride.

Project description:The title salt, C18H26N42+·2Cl-, was obtained by the protonation of N,N-bis-(pyridin-4-ylmeth-yl)cyclo-hexane-1,4-di-amine with hydro-chloric acid in ethanol. The asymmetric unit consists of one half of an N,N-bis-(pyridin-3-ylmeth-yl)cyclo-hexane-1,4-di-ammonium dication, with a crystallographic inversion centre located at the centre of the cyclo-hexyl ring, and a chloride anion. The central cyclo-hexyl ring in the dication adopts a chair conformation. The two trans-(4-pyridine)-CH2-NH2- moieties at the 1- and 4-positions of the central cyclo-hexyl ring occupy equatorial sites. The terminal pyridine ring is tilted by 53.72 (6)° with respect to the mean plane of the central cyclo-hexyl ring (r.m.s. deviation = 0.2413 Å). In the crystal, N+-H⋯Cl- hydrogen bonds between the dications and the chloride anions, and π-π stacking inter-actions between the pyridine rings of the dications afford a two-dimensional sheet extending parallel to the ab plane. These sheets are further connected through weak C-H⋯Cl- hydrogen bonds, resulting in the formation of a three-dimensional supra-molecular network.

| S-EPMC5137595 | biostudies-literature

2,6-Bis(4H-1,2,4-triazol-4-yl)pyridine dihydrate.

Project description:The asymmetric unit of the title compound, C(9)H(7)N(7)·2H(2)O, comprises three formula units. The dihedral angles between the triazole rings and the respective central pyridine rings are 4.87?(16)/1.39?(17), 6.46?(16)/7.61?(16) and 7.00?(16)/3.77?(17)°. The water mol-ecules form O-H?O hydrogen bonds between themselves and O-H?N hydrogen bonds with the N-atom acceptors of the triazole rings, producing a three-dimensional framework.

| S-EPMC3247355 | biostudies-literature

2,6-Bis(4H-1,2,4-triazol-4-yl)pyridine dihydrate.

Project description:In the asymmetric unit of the title compound, C(9)H(7)N(7)·2H(2)O, there are two formula units in which the two triazole rings of each of the organic component mol-ecules form dihedral angles of 7.0?(4)/6.9?(4) and 2.7?(4)/3.6?(4)° with the respective central pyridine rings. The four water mol-ecules of solvation form O-H?O hydrogen bonds among themselves and O-H?N bonds with the N-atom acceptors of the triazine rings, giving a three-dimensional framework structure.

| S-EPMC3151751 | biostudies-literature

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