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Dichloridobis[3-(4-meth-oxy-phen-yl)-2-methyl-5-(piperidin-1-yl)-2,3-di-hydro-1,2,4-oxa-diazole-?N (4)]platinum(II).

ABSTRACT: In title compound, [PtCl2(C15H21N3O2)2], the Pt(II) cation, located on an inversion center, is coordinated by two Cl(-) anions and two 3-(4-meth-oxy-phen-yl)-2-methyl-5-(piperidin-1-yl)-2,3-di-hydro-1,2,4-oxa-diazole ligands in a distorted Cl2N2 square-planar geometry. The di-hydro-oxa-diazole and piperidine rings display envelope (with the non-coordinating N atom as the flap atom) and chair conformations, respectively. In the crystal, weak C-H?Cl hydrogen bonds link the mol-ecules into supra-molecular chains running along the b axis. The piperidine ring is disordered over two positions with the occupancy ratio of 0.528?(4):0.472?(4).

SUBMITTER: Kritchenkov AS

PROVIDER: S-EPMC3793679 | biostudies-literature | 2013

REPOSITORIES: biostudies-literature

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Dichloridobis[3-(4-meth-oxy-phen-yl)-2-methyl-5-(piperidin-1-yl)-2,3-di-hydro-1,2,4-oxa-diazole-κN (4)]platinum(II).

Kritchenkov Andreii S AS Lavnevich Leonid V LV Starova Galina L GL Bokach Nadezhda A NA Kalibabchuk Valentina A VA

Acta crystallographica. Section E, Structure reports online 20130706 Pt 8

In title compound, [PtCl2(C15H21N3O2)2], the Pt(II) cation, located on an inversion center, is coordinated by two Cl(-) anions and two 3-(4-meth-oxy-phen-yl)-2-methyl-5-(piperidin-1-yl)-2,3-di-hydro-1,2,4-oxa-diazole ligands in a distorted Cl2N2 square-planar geometry. The di-hydro-oxa-diazole and piperidine rings display envelope (with the non-coordinating N atom as the flap atom) and chair conformations, respectively. In the crystal, weak C-H⋯Cl hydrogen bonds link the mol-ecules into supra-mo ...[more]

PMID: 24109266

Similar Datasets

Dichloridobis[3-(4-chloro-phen-yl)-2,N,N-trimethyl-2,3-di-hydro-1,2,4-oxa-diazole-5-amine-κN (4)]platinum(II)-4-chloro-benzaldehyde (1/1).

Project description:In the title 1:1 co-crystal, [PtCl2(C11H14ClN3O)2]·C7H5ClO, the coordination polyhedron of the Pt(II) atom is slightly distorted square-planar with the chloride and 2,3-di-hydro-1,2,4-oxa-diazole ligands mutually trans, as the Pt atom lies on an inversion center. The 4-chloro-benzaldehyde mol-ecules are statistically disordered about an inversion centre with equal occupancies for the two positions. The Pt(II) complex forms a three-dimensional structure through C-H⋯Cl and weaker C-H⋯O inter-actions with the 4-chloro-benzaldehyde mol-ecule.

| S-EPMC3793686 | biostudies-literature

5-(Adamantan-1-yl)-3-anilinomethyl-2,3-di-hydro-1,3,4-oxa-diazole-2-thione.

Project description:In the title compound, C19H23N3OS, the oxa-diazole and benzene rings are inclined at a dihedral angle of 50.30?(11)°, with the major twist between them occurring at the ring-methyl-ene N-C bond [N-N-C-N torsion angle = -101.2?(2)°]. In the crystal, helical supra-molecular chains along [010] are sustained by N-H?S hydrogen bonds. These are linked into layers lying parallel to (-101) by methyl-ene-phenyl C-H?? inter-actions.

| S-EPMC3648261 | biostudies-literature

5-(Adamantan-1-yl)-3-[(4-fluoro-anilino)meth-yl]-2,3-di-hydro-1,3,4-oxa-diazole-2-thione.

Project description:In the title compound, C19H22FN3OS, the dihedral angle between the inclined oxa-diazole and benzene rings is 52.7?(3)°. In the crystal, helical supra-molecular chains along [100] are sustained by N-H?S hydrogen bonds supported by methyl-ene-benzene C-H?? inter-actions. The crystal studied was an inversion twin with the fractional contribution of the minor component being 0.33?(14).

| S-EPMC3648262 | biostudies-literature

Crystal structure of 3-[(4-benzyl-piperazin-1-yl)meth-yl]-5-(thio-phen-2-yl)-2,3-di-hydro-1,3,4-oxa-diazole-2-thione.

Project description:The title 1,3,4-oxa-diazole-2-thione derivative, C18H20N4OS2, crystallized with two independent mol-ecules (A and B) in the asymmetric unit. The 2-thienyl rings in both mol-ecules are rotationally disordered over two orientations by approximately 180° about the single C-C bond that connects it to the oxa-diazole thione ring; the ratios of site occupancies for the major and minor components were fixed in the structure refinement at 0.8:0.2 and 0.9:0.1 in mol-ecules A and B, respectively. The 1,3,4-oxa-diazole-2-thione ring forms dihedral angles of 7.71 (16), 10.0 (11) and 77.50 (12)° (mol-ecule A), and 6.5 (3), 6.0 (9) and 55.30 (12)° (mol-ecule B) with the major and minor parts of the disordered thio-phene ring and the mean plane of the adjacent piperazine ring, respectively, resulting in approximately V-shaped conformations for the mol-ecules. The piperazine ring in both mol-ecules adopts a chair conformation. The terminal benzene ring is inclined towards the mean plane of the piperazine ring with N-C-C-C torsion angles of -58.2 (3) and -66.2 (3)° in mol-ecules A and B, respectively. In the crystal, no inter-molecular hydrogen bonds are observed. The crystal packing features short S⋯S contacts [3.4792 (9) Å] and π-π inter-actions [3.661 (3), 3.664 (11) and 3.5727 (10) Å], producing a three-dimensional network.

| S-EPMC4350721 | biostudies-literature

3-(3-Methyl-phen-yl)-5-(quinolin-8-yl-meth-oxy)-1,2,4-oxa-diazole monohydrate.

Project description:In the title compound, C19H15N3O2·H2O, the oxa-diazole ring and the quinoline unit are almost coplanar, making a dihedral angle of 7.66?(8)°. The dihedral angle between the benzene ring and the quinoline system is 25.95?(8)° while that between the benzene and the oxa-diazole rings is 18.88?(9)°. The water mol-ecule is hydrogen bonded to an oxa-diazole N atom and to the quinoline N atom. In the crystal, these units are linked via C-H?O hydrogen bonds, forming two-dimensional net-works lying parallel to the ab plane.

| S-EPMC3790408 | biostudies-literature

3-[(4-Phenyl-piperazin-1-yl)meth-yl]-5-(thio-phen-2-yl)-2,3-di-hydro-1,3,4-oxa-diazole-2-thione.

Project description:In the title compound, C17H18N4OS2, the 2-thienyl ring is disordered over two co-planar, opposite orientations in a 0.684?(2): 0.316 ratio. The 1,3,4-oxa-diazole ring is almost co-planar with the attached 2-thienyl ring [dihedral angles of 5.34?(19) and 4.8?(5)° for the major and minor components, respectively]. The relative disposition of the thione- and ring-S atoms is anti for the major orientation of the 2-thienyl residue. Overall, the shape of the mol-ecule approximates the letter V. In the crystal, a three-dimensional architecture is consolidated by a combination of weak C-H?S and C-H?? contacts.

| S-EPMC3647878 | biostudies-other

Dichloridobis(2-chloro-benzyl-κC)[5,6-diphenyl-3-(2-pyrid-yl)-1,2,4-triazine-κN,N]tin(IV).

Project description:The asymmetric unit of the crystal structure of the title compound, [Sn(C(7)H(6)Cl)(2)Cl(2)(C(20)H(14)N(4))], contains two independent mol-ecules. Each Sn(IV) atom is chelated by the bipyridine-like N-heterocycle and exists in a distorted trans-C(2)SnCl(2)N(2) octa-hedral coordination environment. One chloro-benzyl substituent is disordered in each mol-ecule in 0.5:0.5 and 0.778 (2):0.222 (2) ratios.

| S-EPMC2969832 | biostudies-literature

2-(Biphenyl-4-yl)-5-[3-(4,5,6,7-tetra-hydro-thieno[3,2-c]pyridine-5-ylsulfon-yl)thio-phen-2-yl]-1,3,4-oxa-diazole.

Project description:In the title mol-ecule, C(25)H(19)N(3)O(3)S(3), the tetra-hydro-pyridine ring adopts a half-chair conformation. The dihedral angle between the least-squares plane through the tetra-hydro-pyridine ring and two thio-phene and two benzene rings are 6.25?(9), 89.49?(9), 76.43?(9) and 84.93?(8)°, respectively, while the dihedral angle between the 1,3,4-oxadiazole and tetra-hydro-pyridine rings is 81.14?(9)°. In the crystal, adjacent mol-ecules are connected via weak C-H?N hydrogen bonds, forming a chain along the b axis.

| S-EPMC3201303 | biostudies-literature

Dichloridobis[3-methyl-4-phenyl-5-(2-pyrid-yl)-4H-1,2,4-triazole-κN,N]copper(II) 3.33-hydrate.

Project description:In the title compound, [CuCl(2)(C(14)H(12)N(4))(2)]·3.33H(2)O, the Cu(II) atom is coordinated by two chelating 3-methyl-4-phenyl-5-(2-pyrid-yl)-1,2,4-triazole ligands and two chloride anions in a distorted octa-hedral geometry with a CuN(2)N(') (2)Cl(2) chromophore. The Cu atom is located on an inversion center. Two uncoordinated water mol-ecules lie on threefold rotation axes with disordered H atoms. Two hydrogen bonds are formed between the water mol-ecules, and another between water and a chlorido ligand.

| S-EPMC2960994 | biostudies-literature

Dichloridobis[3-meth-oxy-methyl-4-phenyl-5-(2-pyrid-yl)-4H-1,2,4-triazole-κN,N]chromium(III) chloride.

Project description:In the title complex, [CrCl(2)(C(15)H(14)N(4)O)(2)]Cl, the Cr(III) atom is located on a twofold rotation axis and is coordinated by two N,N'-bidentate triazole derivatives and two chloride ions in a distorted octa-hedral CrN(2)N'(2)Cl(2) geometry. One of the two independent Cl(-) counter-anions sits on a special position (site symmetry [Formula: see text].) and is fully occupied, whereas the other is disordered around a twofold rotation axis over two positions in a 2:3 ratio.

| S-EPMC3246925 | biostudies-literature

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