ABSTRACT
The title compound, [(Z)-4-allyl-2-(2-hydroxybenzylidene)thiosemicarbazide-κS][(E)-4-allyl-1-(2-oxidobenzylidene)thiosemicarbazidato-κ(3)O,N(1),S]copper(II) monohydrate, [Cu(C(11)H(11)N(3)OS)(C(11)H(13)N(3)OS)]·H(2)O, crystallized as a rotational twin in the monoclinic crystal system (space group Cc) with two formula unit (Z' = 2) in the asymmetric unit, one of which contains an allyl substituent disordered over two positions. The Cu(II) atom exhibits a distorted square-planar geometry involving two differently coordinated thiosemicarbazone ligands. One ligand is bonded to the Cu(II) atom in a tridentate manner via the phenolate O, azomethine N and thioamide S atoms, while the other coordinates in a monodentate manner via the S atom only. The complex is stabilized by an intramolecular hydrogen bond, which creates a six-membered pseudo-chelate metalla-ring. The structure analysis indicates the presence of the E isomer for the tridentate ligand and the Z isomer for the monodentate ligand. The crystal structure contains a three-dimensional network built from intermolecular O-H...O, N-H...O, O-H...N and N-H...S hydrogen bonds.
Subject(s)
Benzaldehydes/chemistry , Copper/chemistry , Organometallic Compounds/chemistry , Semicarbazones/chemistry , Crystallography, X-Ray , Hydrogen Bonding , Ligands , Models, MolecularABSTRACT
In the title compound, [Co(C(2)H(8)NO(6)P(2))(2)(H(2)O)(2)]·9H(2)O, the Co(II) atom has a slightly distorted octa-hedral coordination environment consisting of four deprotonated phospho-nate O atoms of two independent 1-amino-ethyl-idendiphospho-nate anions and complemented by the O atoms of two water mol-ecules in cis positions. The anions exists in the zwitterionic form (protonated amino group and two deprotonated phospho-nate O atoms) and constitute two six-membered chelate rings. The crystal structure also contains nine partly disordered uncoordinated water mol-ecules, which create an extensive three-dimensional network of strong O-Hâ¯O and N-Hâ¯O hydrogen bonds.
ABSTRACT
The title compound, [Ni(C(2)H(8)NO(6)P(2))(2)(H(2)O)(2)]·9H(2)O, exhibits a slightly distorted octa-hedral coordination environment around the Ni(II) atom. It contains two mol-ecules of 1-amino--ethyl-idenediphospho-nic acid in the zwitterionic form, coord-inated via O atoms from two phospho-nate groups and creating two six-membered chelate rings. Two water mol-ecules in cis positions complete the coordination environment of the Ni(II) atom. The title compound contains nine partly disordered solvent water mol-ecules, which create a three-dimensional network of strong O-Hâ¯O and N-Hâ¯O hydrogen bonds.
ABSTRACT
In the title compound, C(2)H(5)N(3)O(3), the hydroxamic group adopts an anti orientation with respect to the hydrazide group. In the crystal, mol-ecules are connected by N-Hâ¯O and O-Hâ¯N hydrogen bonds into zigzag chains along the c axis.
ABSTRACT
In the structure of the title compound, [Cu(C(14)H(11)N(3)OS)(C(5)H(5)N)], the Cu(II) atom exhibits a slightly distorted square-planar CuN(2)OS coordination polyhedron consisting of a phenyl O, an azomethine N and a thio-amide S atom from the tridentate thio-semicarbazonate dianion, and the N atom of a pyridine mol-ecule. The thio-semicarbazonate ligand exists in the thiol tautomeric form as an E isomer. Rotational disorder of the pyridine and phenyl rings in a 1:1 ratio of the respective components is observed. An extensive network of weak N-Hâ¯S, C-Hâ¯O, C-Hâ¯N and C-Hâ¯S hydrogen-bonding inter-actions consolidates the structure.
ABSTRACT
The title compound, (H(3)O)[Pd(C(2)H(7)NO(6)P(2))(C(2)H(8)NO(6)P(2))]·3H(2)O, was synthesized by the reaction of [Pd(H(2)O)(4)](NO(3))(2) with 1-amino-ethane-1,1-diyldiphospho-nic acid in aqueous solution. The asymmetric unit contains one mol-ecule of the complex existing as an anion, an oxonium counter-ion and three solvent water mol-ecules. The Pd(II) ion occupies a position on a pseudo-twofold axis, which is not realized crystallographically. The slightly distorted square-planar coordination environment of the Pd(II) ion consists of the O atoms from two phospho-nic acid groups and two N atoms of the amino groups in cis positions. The crystal structure displays N-Hâ¯O and O-Hâ¯O hydrogen bonding, which creates a wide three-dimensional network.
ABSTRACT
In the title compound, [Pd(C(5)H(14)N(2)O(3)P)Cl]·H(2)O, the Pd(II) atom shows a slightly distorted square-planar geometry and forms two five-membered metallacycles, which both exhibit half-chair conformations. The crystal structure consists of layers propogating in the [100] direction which are connected into a three-dimensional network by strong N-Hâ¯Cl, N-Hâ¯O and O-Hâ¯O hydrogen bonds.
ABSTRACT
The crystal structure of potassium magnesium niobium oxide phosphate, KMg(1/3)Nb(2/3)OPO(4), which was described in the space group P4(3)22 [McCarron & Calabrese, (1993 â¶). J. Solid State Chem.102, 354-361], has been redetermined in the revised space group P4(1). Accordingly, the assignment of the space group P4(3)22 and, therefore, localization of K at a single half-occupied position, as noted in the previous study, proved to be an artifact. As a consequence, two major and two minor positions of K are observed due to the splitting along [001], as first noted for KTiOPO(4) structure analogues. It has been shown that the geometry of the {M(II) (1/3)Nb(2/3)O(6/2)}(∞) framework is almost unaffected by the lowering of symmetry.
ABSTRACT
In the title compound, [Cu(C(16)H(11)N(3)O(2)S(2))(C(5)H(5)N)](n), the Cu(II) atom displays a square-pyramidal CuN(2)O(3) coordination geometry with strong elongation in the vertex direction. The hydrazone mol-ecule is coordinated to the Cu(II) atom in a tridentate manner in the enolic form, creating five- and six-membered chelate metallarings. The pyridine mol-ecule completes the square-planar base of the copper coordination environment. The crystal structure displays zigzag polymeric Cu-O-Cu chains along [001]. Several weak π-π inter-actions between benzothia-zole rings were found in the same direction [centroid-centroid distances = 3.7484â (16), 3.7483â (16), 3.6731â (17) and 3.7649â (17)â Å].
ABSTRACT
The title compound, [Pd(C(6)H(4)N(2)S(2))(C(18)H(15)P)(2)], was obtained as a minor product from the reaction of trans-PdCl(2)(PPh(3))(2) with piperazine-1,4-dicarbothioic acid bis-(pyridin-2-yl)amide. The Pd(II) atom displays a slightly distorted square-planar PdP(2)S(2) geometry with a bidentately coordinated pyridin-2-ylcarbonimidodithio-ate ligand and two triphenyl-phosphine mol-ecules, coordinated in cis positions. The crystal structure features weak π-π [centroid-centroid distance =3.7327(15)â Å] and C-Hâ¯π inter-actions and contains an almost spherically shaped void of 50.4â Å(3) per unit cell.
ABSTRACT
In the title compound, [Cu(C(5)H(14)NO(6)P(2))(2)(H(2)O)(2)], the Cu(II) atom occupies a special position on an inversion centre. It exhibits a distorted octa-hedral coordination environment consisting of two O,O'-bidentate (1-ammonio-pentane-1,1-di-yl)diphospho-nate anions in the equatorial plane and two trans water mol-ecules located in axial positions. The ligand mol-ecules are coordinated to the Cu(II) atom in their zwitterionic form via two O atoms from different phospho-nate groups, creating two six-membered chelate rings with a screw-boat conformation. The CuO(6) coordination polyhedron is strongly elongated in the axial direction with 0.6â Å longer bonds than those in the equatorial plane. Intra-molecular N-Hâ¯O hydrogen bonding helps to stabilize the mol-ecular configuration. The presence of supra-molecular -PO(OH)â¯O(OH)P- units parallel to (100) and other O-Hâ¯O and N-Hâ¯O hydrogen bonds establish the three-dimensional set-up.
