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2-[(2,4,4,6,6-Penta-chloro-1,3,5,2λ,4λ,6λ-triaza-triphosphinin-2-yl)aza-nid-yl]pyridinium.

ABSTRACT: The title compound, C(5)H(5)Cl(5)N(5)P(3), crystallizes as a zwitterion in which the pyridine N atom is protonated. An S(6) ring motif is formed via an intra-molecular C-H⋯N hydrogen bond. The triaza-triphosphinine ring adopts an envelope conformation, with one N atom displaced by 0.145 (1) Å from the other atoms. In the crystal, N-H⋯N and C-H⋯N hydrogen bonds link the mol-ecules into centrosymmetric dimers containing one R(2) (2)(7) ring motif and two R(2) (2)(8) ring motifs.

SUBMITTER: Ahmed SA

PROVIDER: S-EPMC3274999 | biostudies-literature |

REPOSITORIES: biostudies-literature

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[μ(3)-2,2,4,4,6,6-Hexakis(3,5-dimethyl-pyrazol-1-yl)-2λ,4λ,6λ-1,3,5,2,4,6-triaza-triphosphinine]tris-[cis-dichloridopalladium(II)].

Project description:The title complex, [Pd(3)Cl(6)(C(30)H(42)N(15)P(3))], possesses C(3) mol-ecular symmetry. The P and N atoms of the cyclo-triphosphazene and the Pd atom are located on the crystallographic mirror plane. Each of the three symmetry-related Pd atoms is coordinated by two chloride ligands and two exocyclic pyrazolyl N atoms, but not by the cyclo-triphosphazene N atoms.

| S-EPMC2961992 | biostudies-literature

[μ-2,2,4,4,6,6-Hexakis(3,5-dimethyl-pyrazol-1-yl)-2λ,4λ,6λ-1,3,5,2,4,6-triaza-triphosphinine]bis-[bis-(nitrato- κO,O')cadmium(II)].

Project description:The complete title complex, [Cd(2)(NO(3))(4)(C(30)H(42)N(15)P(3))], is generated by crystallographic twofold symmetry, with one P and one N atom of the cyclo-triphosphazene ligand located on the rotation axis. The non-planar cyclo-triphosphazene ring accommodates two Cd ions, and only four out of six exocylcic pyrazolyl ligands are bound to the Cd metal atoms. Each of these two symmetry-related Cd atoms is coordinated by two bidentate nitrato ligands, two exocylic pyrazolyl N atoms, and one cyclo-triphosphazene N atom.

| S-EPMC2959902 | biostudies-literature

Crystal structure of hexa-prop-2-en-1-yl 4,4',4'',4''',4'''',4'''''-[1,3,5,2λ(5),4λ(5),6λ(5)-tri-aza-triphosphinine-2,2,4,4,6,6-hexa-yl-hexa-kis-(-oxy)]hexa-benzoate.

Project description:In the title compound, C60H54N3O18P3, the central phosphazene ring is essentially planar, with an r.m.s. deviation of the six fitted atoms of 0.068 Å. The P-N bond lengths are within the narrow range 1.575 (2)-1.585 (2) Å, indicating the electrons are delocalized within the ring. The two ethenyl benzoate substituents on each P atom are located up and down with respect to the plane of the central P3N3 ring. The atoms of two terminal propenyl groups are disordered over two sets of sites, with refined site-occupancy ratios of 0.249 (12):0.751 (12) and 0.476 (9):0.524 (9). No intermolecular interactions are observed.

| S-EPMC4719920 | biostudies-literature

tert-But-yl(2-hy-droxy-eth-yl)aza-nium 4-[(1,3-thia-zol-2-yl-aza-nid-yl)sulfon-yl]aniline.

Project description:Two pairs of independent cations and anions comprise the asymmetric unit of the title salt, C(6)H(16)NO(+)·C(9)H(8)N(3)O(2)S(2) (-). The cations are virtually superimposable and each exhibits a gauche disposition of the hy-droxy O and ammonium N atoms [the O-C-C-N torsion angles are 55.5 (3) and 57.5 (3)°]. Significant differences are seen in the mol-ecular structures of the anions as seen in the S-N-C-S [1.1 (3) and 32.9 (3)°] and C-S-N-C [-69.7 (2) and 91.4 (2)°] torsion angles. Despite the variations in conformation, intra-molecular hypervalent S⋯O inter-actions persist in each anion [3.078 (2) and 2.8730 (19) Å]. In the crystal, supra-molecular double layers are formed in the bc plane, being sustained by O-H⋯N, N-H⋯O and N-H⋯N hydrogen bonding. These are connected along the a axis via C-H⋯O inter-actions.

| S-EPMC3435687 | biostudies-literature

Crystal structure of hexa-methyl 4,4',4'',4''',4'''',4'''''-[(1,3,5,2λ5,4λ5,6λ5-tri-aza-triphosphinine-2,2,4,4,6,6-hexa-yl)hexa-kis-(-oxy)]hexa-benzoate.

Project description:The title compound, C48H42N3O18P3, achieved in a two-step synthesis, comprises a cyclo-triphosphazene core and six 4-meth-oxy-carbonyl-phen-oxy groups. Each P atom is attached to two substituents located up and down with respect to the plane of the phosphazene ring, the central P3N3 ring having a twist-boat conformation. The three O/P/O planes and five of the six benzene rings are nearly perpendicular to the mean plane through the phosphazene ring [dihedral angles = 82.98 (8)-88.92 (8)°], while the remaining benzene ring forms a dihedral angle of 25.72 (7)°. The crystal packing is stabilized by van der Waals inter-actions only.

| S-EPMC5598859 | biostudies-literature

6-Benzyl-2-methyl-1,3-bis-(penta-fluoro-phen-yl)-1,3,6,2-triaza-alumocane.

Project description:In the title compound, [Al(CH(3))(C(23)H(15)F(10)N(3))], the Al(III) atom is coordinated in a distorted tetra-hedral geometry by three N atoms from the tridentate amine and by one C atom of the methyl substituent. Further, there is a short intra-molecular Al?F contact [2.5717?(11)?Å], leading to an overall distorted trigonal-bipyramidal coordination environment around Al(III).

| S-EPMC3515133 | biostudies-literature

Crystal structure of the η4-ketimine titanium complex (di-phenyl-amido-κN){3-methyl-6-[(4-methyl-phen-yl)(phenyl-aza-nid-yl)methyl-idene]cyclo-hexa-2,4-dien-1-yl-κ2N,C1}(η5-penta-methyl-cyclo-penta-dien-yl)titanium(IV).

Project description:The mol-ecular structure of the title titanium(IV) half-sandwich complex, [Ti(η5-C10H15)(η4-C21H19N)(C12H10N)], shows a three-legged piano-stool geometry at the central TiIV atom, comprising of one penta-methyl-cyclo-penta-dienyl ligand, one bidentate ketimine ligand in an η4-coordination mode and one monodentate di-phenyl-amide ligand. Except for van der Waals forces, there are no significant inter-molecular inter-actions in the crystal.

| S-EPMC5778480 | biostudies-literature

12-(4-Chloro-phen-yl)-7-methyl-10-phenyl-3,4,5,6,8,10-hexa-aza-tricyclo-[7.3.0.0]dodeca-1(9),2,4,7,11-penta-ene.

Project description:The 12 non-H atoms defining the triple-fused-ring system in the title compound, C(19)H(13)ClN(6), are almost coplanar (r.m.s. deviation = 0.023?Å). The chloro-substituted ring is almost effectively coplanar with the central atoms [dihedral angle = 6.74?(13)°], but the N-bound benzene ring is not [dihedral angle = 54.38?(13)°]. In the crystal, supra-molecular chains along the a axis sustained by C-H?? and ?-? [centroid-centroid distance between N(4)C and C(4)N five-membered rings = 3.484?(2)?Å] stacking occur. A very long C-Cl?? contact is also seen.

| S-EPMC3011633 | biostudies-literature

Bis{μ4-N-[phen-yl(pyridin-2-yl-aza-nid-yl)meth-yl]pyridin-2-aminido}tetra-kis(tetra-hydro-furan)-tetra-lithium.

Project description:The title complex, [Li4(C17H14N4)2(C4H8O)4], bears a novel tetra-dentate di-amido ligand. In the tetra-nuclear centrosymmetric complex mol-ecule, the metal atoms exhibit two kinds of coordination modes. The middle two Li(+) cations are coord-inated by four N (ligand) and one O (tetra-hydro-furan, THF) atoms, resulting in a distorted square-pyramidal geometry. The outer two Li(+) cations are in distorted tetra-hedral environments consisting of three N (ligand) and one O (THF) atoms. The Li-N bond lengths vary from 2.020 (7) to 2.441 (6)Å.

| S-EPMC3885009 | biostudies-literature

2-[(E)-2-(4-Chloro-phen-yl)ethen-yl]-1-methyl-pyridinium 4-chloro-benzene-sulfonate.

Project description:In the title salt, C(14)H(13)ClN(+)·C(6)H(4)ClO(3)S(-), the cation exists in an E configuration with respect to the ethynyl bond and is approximately planar, with a dihedral angle of 3.4?(2)° between the pyridinium and benzene rings. The anion is approximately perpendicular to the cation plane, the benzene ring of the anion making dihedral angles of 89.4?(2) and 89.9?(2)°, respectively, with the pyridinium and benzene rings of the cation. In the crystal structure, the cations are linked into a chain along the c axis by C-H?Cl inter-actions. The anions are linked to the adjacent cation chains by C-H?O and C-H?Cl inter-actions, forming a two-dimensional network parallel to the bc plane. The crystal structure is further stabilized by C-H?? inter-actions. A ?-? inter-action is also observed between the pyridinium ring and the benzene ring of the cation with a centroid-centroid distance of 3.668?(3)?Å.

| S-EPMC2969486 | biostudies-literature

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