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1,3-Bis[4-(4-pyrid-yl)pyrimidin-2-ylsulfan-yl]propane.

ABSTRACT: In the title compound, C(21)H(18)N(6)S(2), the dihedral angles between the aromatic rings in the two 4-(4-pyrid-yl)pyrimidine residues are 23.45?(13) and 2.67?(14)°. Whereas one of the C-S-C-C torsion angles corresponds to a staggered conformation, the other is gauche.

SUBMITTER: Sun YY

PROVIDER: S-EPMC2961214 | biostudies-literature | 2008 Apr

REPOSITORIES: biostudies-literature

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1,3-Bis[4-(4-pyrid-yl)pyrimidin-2-ylsulfan-yl]propane.

Sun Yan-Yan YY Dong Hua-Ze HZ Cheng Lin L

Acta crystallographica. Section E, Structure reports online 20080423 Pt 5

In the title compound, C(21)H(18)N(6)S(2), the dihedral angles between the aromatic rings in the two 4-(4-pyrid-yl)pyrimidine residues are 23.45 (13) and 2.67 (14)°. Whereas one of the C-S-C-C torsion angles corresponds to a staggered conformation, the other is gauche. ...[more]

PMID: 21202384

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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

Tetra-aqua-bis{2-[4-(3-pyrid-yl)pyrimidin-2-ylsulfan-yl]acetato}manganese(II) dihydrate.

Project description:In the title compound, [Mn(C(11)H(8)N(3)O(2)S)(2)(H(2)O)(4)]·2H(2)O, the Mn(II) ion lies on an inversion centre and is coordinated by four water mol-ecules in equatorial positions and two N atoms from two 2-[4-(3-pyrid-yl)pyrimidin-2-ylsulfan-yl]acetate ligands in the axial positions. The water mol-ecules, including the uncoordinated water mol-ecules, and the acetate O atoms are involved in O-H⋯O and O-H⋯N hydrogen-bonding inter-actions, which link the components into layers parallel to the a (b + c) plane.

| S-EPMC2970048 | biostudies-literature

1,3-Bis[5-(2-pyrid-yl)-1H-tetra-zol-1-yl]propane.

Project description:The title compound, C(15)H(14)N(10), is a multidentate ligand obtained by the reaction of 5-(2-pyrid-yl)tetra-zole with 1,3-dibromo-propane. The mol-ecule consists of two 5-(2-pyrid-yl)-1H-tetra-zol-1-yl units connected by a propyl-ene bridge in a U-like conformation. A twofold rotation axis passes through the central C atom.

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Tris{2-[4-(2-pyrid-yl)pyrimidin-2-ylsulfan-yl]eth-yl}amine.

Project description:The tripodal character of the title compound, C(33)H(30)N(10)S(3), arises from the three thio-ether arms surrounding a central amine N atom. The three arms have approximately the same conformation but distinct geometries in a trans-trans-cis conformation, resulting in a short pyridine-sulfanyl N⋯S distance of 4.320 (7) Å. The distances of the central N atom to the N atoms of three pyridine rings in the arms are 8.305 (7), 8.032 (7) and 5.076 (9)Å. In the crystal, mol-ecules are joined into a three-dimensional supra-molecular network via effective π-π stacking between adjacent heterocycles [centroid-centroid distances of 3.700 (3)-4.118 (4) Å between adjacent inter-layer pyrimidine rings and 3.676 (4) Å between the pyridine rings].

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Tetra-aqua-bis-{2-[4-(4-pyrid-yl)pyrimidin-2-ylsulfan-yl]acetato}-zinc.

Project description:In the title compound, [Zn(C(11)H(8)N(3)O(2)S)(2)(H(2)O)(4)], the Zn(II) ion lies on an inversion centre and is coordinated by four water mol-ecules and two N atoms from two 2-[4-(4-pyrid-yl)pyrimidin-2-ylsulfan-yl]acetate (L) ligands in a distorted octa-hedral geometry. In L, the pyridine and pyrimidine rings are twisted at an angle of 11.2?(1)°. The coordinated water mol-ecules and the acetate groups are involved in the formation of a three-dimensional hydrogen-bonded network, which consolidates the crystal packing.

| S-EPMC3212265 | biostudies-other

trans-Diaqua-bis{1,3-bis-[5-(2-pyrid-yl)-2H-tetra-zol-2-yl]propane}zinc(II) bis-(perchlorate).

Project description:The Zn(II) ion in the title compound, [Zn(C(15)H(14)N(10))(H(2)O)(2)](ClO(4))(2), lies on a centre of symmetry. The distorted N(4)O(2) octa-hedral coordination environment around the Zn atom is composed of two 1,3-bis-[5-(2-pyrid-yl)-2H-tetra-zol-2-yl]propane ligands (L1) and two water mol-ecules, coordinated in trans positions. The ligand acts as a typical bidentate chelating ligand through one of its 2-pyridyl-2H-tetra-zole units, forming a five-membered Zn-N-C-C-N metallacycle with a small N-Zn-N bite angle [77.40 (8)°]. The other 2-pyridyl-2H-tetra-zole unit remains uncoordinated. The average Zn-N distance (2.156 Å) is somewhat longer than the distance between the Zn(II) center and the aqua ligand [2.108 (2) Å]. The coordinated pyrid-yl-tetra-zoyl rings are quasi-coplanar, making a dihedral angle of 1.9 (2)°, while the uncoordinated rings show a larger inter-planar angle of 21.3 (2)°. The flexible propane spacer displays a zigzag chain. Inter-molecular O-H⋯N and O-H⋯O inter-actions result in two-dimensional polymeric structures parallel to (100). Two C atoms of the spacer are disordered over two positions, with site occupancy factors of ca 0.85 and 0.15.

| S-EPMC2960969 | biostudies-literature

Poly[{μ(2)-1,2-bis-[4-(3-pyrid-yl)pyrimidin-2-ylsulfan-yl]ethane}di-μ(2)-cyanido-dicopper(I)].

Project description:The asymmetric unit of the title complex, [Cu(2)(CN)(2)(C(20)H(16)N(6)S(2))](n), contains one Cu(I) cation, one cyanide ligand and half of a centrosymmetric 1,2-bis-[4-(3-pyrid-yl)pyrimidin-2-ylsulfan-yl]ethane (bppe) ligand. The Cu(I) atom displays a trigonal coordination geometry, being surrounded by one C atom from one cyanide anion and two N atoms from one cyanide and one bppe ligand. In the complex, each cyanide anion links two Cu(I) atoms in a bis-monodentate mode into a zigzag [-Cu-CN-](n) chain. Two parallel chains are linked by bppe ligands into a ladder chain.

| S-EPMC2961664 | biostudies-literature

3-(2-Thioxo-1,3-dithiol-4-ylsulfan-yl)-propane-nitrile.

Project description:The title compound, C(6)H(5)NS(4), consists of a planar 2-thioxo-1,3-dithiol-4-ylsulfanyl unit [maximum deviation from the ring plane = 0.0325 (2) Å], with a cyano-ethyl-sulfanyl substituent in the 4-position. In the crystal structure, weak inter-molecular C-H⋯S hydrogen bonds together with S⋯N inter-actions [3.260 (5) Å] form two-dimensional layers in the bc plane.

| S-EPMC2959697 | biostudies-literature

1,3-Bis[(naphthalen-2-ylsulfan-yl)meth-yl]benzene.

Project description:Mol-ecules of the title compound, C(28)H(22)S(2), are located on a crystallographic mirror plane with one half-mol-ecule in the asymmetric unit. The dihedral angle between the phenyl ring and the naphthyl unit is 83.14 (7)°. In the crystal, mol-ecules are inter-connected by C-H⋯S and C-H⋯π inter-actions.

| S-EPMC3344549 | biostudies-literature

trans-Tetra-aqua-bis-[1,3-bis-(4-pyrid-yl)propane-κN]cobalt(II) biphenyl-4,4'-disulfonate monohydrate.

Project description:In the title compound, [Co(C(13)H(14)N(2))(2)(H(2)O)(4)](C(12)H(8)O(6)S(2))·H(2)O, the cation, anion and uncoordinated water mol-ecule have crystallographically imposed twofold symmetry. The cobalt(II) atom exhibits a slightly distorted octa-hedral coordination geometry provided by two N atoms from two 1,3-bis-(4-pyrid-yl)propane ligands and the O atoms from four water mol-ecules. The dihedral angle between the pyridine rings in the ligand is 86.14 (11)°, whereas the dihedral angle formed by the symmetry-related benzene rings in the anion is 35.81 (12)°. In the crystal, cations, anions and water mol-ecules are linked into layers parallel to the ac plane by O-H⋯O and O-H⋯N hydrogen-bond inter-actions. The layers are further connected into a three-dimensional network by C-H⋯O hydrogen bonds.

| S-EPMC3089097 | biostudies-literature

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