The triclinic form of di-?-aqua-bis-[diaqua-bis-(thio-cyanato-?N)iron(II)]-1,4-bis-(4H-1,2,4-triazol-4-yl)benzene (1/3).
ABSTRACT: In the title compound, [Fe(2)(NCS)(4)(H(2)O)(6)]·3C(10)H(8)N(6), the centrosymmetric dinuclear complex contains two Fe(II) ions bridged by two aqua ligand O atoms, forming a four-membered ring. The slightly distorted octa-hedral coordination environment of the two Fe(II) ions is completed by two monodentate aqua ligands and two thio-cyanate ligands. One of the 1,4-bis-(4H-1,2,4-triazol-4-yl)benzene mol-ecules lies across an inversion center. In the crystal, O-H?N hydrogen bonds connect the components, forming a two-dimensional network parallel to (011). In addition, ?-? stacking inter-actions involving the benzene and triazole rings, with centroid-centroid distances in the range 3.502?(5)-3.787?(6)?Å, connect the two-dimensional hydrogen-bonded network into a three-dimensional network.
Project description:The title complex, [Zn(2)(C(12)H(6)O(4))(2)(C(10)H(8)N(2))(2)(H(2)O)(2)]·4H(2)O, is a binuclear complex with two independent Zn(II) ions in a slightly disorted trigonal bipyramidal environment, coordinated by one aqua ligand, two naphthalene-1,8-dicarboxyl-ate ligands and one 2,2'-bipyridine ligand. ?-? Inter-actions [centroid-centroid distance of 3.8489?(5)?Å] and O-H?O hydrogen bonds connect the mol-ecules, forming a three-dimensional structure.
Project description:In the title compound, C(21)H(26)N(2)O(4), there is half a mol-ecule in the asymmetric unit with a crystallographic twofold rotation axis passing through the central C atom of the -CH=N-O-(CH(2))(5)-O-N=CH- bridge. The dihedral angle formed by the two benzene rings is 80.85?(2)°. Strong intra-molecular O-H?N and C-H?O hydrogen bonds help to establish the molecular conformation. There are also weak inter-molecular ?-? stacking inter-actions between neighbouring benzene rings [centroid-centroid separation = 3.502?(3)?Å].
Project description:The title complex, [Fe(2)(NCS)(4)(H(2)O)(6)]·3C(10)H(8)N(6), comprises two Fe(II) atoms octahedrally coordinated and bridged by two aqua O atoms that straddle a crystallographic inversion center, forming a quadrilateral core. The water ligands of the core are involved in hydrogen bonds with the triazole N atoms of the organic mol-ecules, which generates a layer motif in the ab plane. There are ?-? stacking inter-actions between benzene rings of 3.490?(6)?Å, and between triazole rings of 3.543?(8) and 3.734?(7)?Å in neighboring layers, forming a three-dimensional network.
Project description:In the title complex, [Cd(C(14)H(9)N(5))(NO(3))(H(2)O)(2)]NO(3), the Cd(II) ion is coordinated in a distorted penta-gonal-bipyramidal geometry. The equatorial sites are occupied by a 2-(1H-1,2,4-triazol-1-yl)-1,10-phenanthroline ligand in a tridentate coordination mode and a bis-chelating nitrate ligand. Two aqua ligands are coordinated at the axial sites. All non-H atoms in the equatorial plane are co-planar within 0.0673?Å. In the crystal, inter-molecular O-H?O and O-H?N hydrogen bonds connect the components into a two-dimensional network parallel to (001). In addition, there is a ?-? stacking inter-action between symmetry-related benzene rings, with a centroid-centroid distance of 3.598?(3)?Å.
Project description:In the title compound, [Cu(C(16)H(14)N(5))(2)]Cl(2)·2CH(4)O·2H(2)O, the cationic metal complex resides on a crystallographic centre of inversion, with the Cu(2+) bonded to two bis-(1H-benzimidazol-2-ylmeth-yl)amines (IDB). The coordination geometry of the Cu(2+) ion is distorted octa-hedral with an N(6) ligand set. A three-dimensional framework structure is formed by means of hydrogen bonds and ?-? inter-actions formed between imidazole and phenyl rings, and between phenyl and phenyl rings, with centroid-to-centroid distances of 3.690?(2)-3.977?(2)?Å and interplanar spacings of 3.445?(2)-3.502?(2)?Å.
Project description:In the crystal structure of the title complex, [Mn(C(7)H(4)FO(2))(2)(H(2)O)(2)](n), the Mn(II) atom is located on an inversion centre. It is coordinated by two water mol-ecules in the apical directions and four 4-fluoro-benzoate (PFB) anions, bridging the symmetry related Mn atoms in the basal plane to form an infinite two-dimensional polymeric structure parallel to (100). The four O atoms of the PFB anions around the Mn(II) atom form a slightly distorted square-planar arrangement, while the slightly distorted octa-hedral coordination is completed by the two O atoms of the water mol-ecules. The dihedral angle between the carboxyl-ate group and the adjacent benzene ring is 27.29?(16)°. The O-H?O hydrogen bonds further connect the manganese-carboxyl-ate units. ?-? contacts between the benzene rings [centroid-centroid distance = 3.6894?(15)?Å] further stabilize the crystal structure.
Project description:In the title binuclear complex, [Fe(2)(C(8)H(7)O(2))(4)(C(12)H(8)N(2))(2)(H(2)O)], the Fe(II) ion is six-coordinated by three carboxylate O atoms from three 4-methyl-benzoate ligands, two N atoms from two 1,10-phenanthroline ligands and one bridging aqua ligand in a distorted octa-hedral geometry. The coordinated water mol-ecule acting as the bridging ligand is located on a twofold axes and the complex mol-ecule displays C(2) mol-ecular symmetry. The Fe?Fe separation in the binuclear complex is 3.490?(3)?Å. The crystal structure is stabilized by hydrogen bonding and ?-? stacking inter-actions [the centroid-centroid distance between adjacent 1,10-phenanthroline ring systems is 3.653?(2)?Å, and that between the 1,10-phenanthroline ring system and the phenyl ring of the 4-methyl-benzoate unit of a neighbouring complex is 3.622?(3)?Å].
Project description:The title complex [CuCl(C12H8N2)2]2[Fe(CN)5(NO)]·C3H7NO, consists of discrete [Cu(phen)2Cl](+) cations (phen is 1,10-phenanthroline), [Fe(CN)5NO](2-) anions and one di-methyl-formamide (DMF) solvent mol-ecule of crystallization per asymmetric unit. The Cu(II) atom is coordinated by two phenanthroline ligands and one chloride ion in a distorted trigonal-bipyramidal geometry. The dihedral angle between the phen ligands is 77.92?(7)°. The cation charge is balanced by a disordered nitro-prusside counter-anion with the Fe(II) atom located on an inversion center with a slightly distorted octa-hedral coordination geometry. In the crystal, weak C-H?N and C-H?Cl hydrogen bonds connect anions and cations into a two-dimensional network parallel to (100). In addition, ?-? stacking inter-actions are observed with centroid-centroid distances in the range 3.565?(2)-3.760?(3)Å. The di-methyl-formamide solvent mol-ecule was refined as disordered about an inversion center.
Project description:In the crystal structure of the title substituted ferrocene complex, [Fe(C??H??O?P)?], the Fe(II) atom lies on a twofold rotation axis, giving an eclipsed cyclo-penta-dienyl conformation with a ring centroid separation of 3.292?(7)?Å and an Fe-C bond-length range of 2.0239?(15)-2.0521?(15)?Å. In the ligand, the cyclo-penta-dienyl ring forms dihedral angles of 60.36?(6) and 82.93?(6)° with the two benzene rings of the diphenyl-phosphine group, while the dihedral angle between the benzene rings is 67.4?(5)°.
Project description:In the title compound, C(16)H(13)N(3)O(4), the imidazo[1,2-a]pyridine and benzene rings make a dihedral angle of 56.21?(2)°. The crystal packing is stabilized by weak ?-? stacking inter-actions [centroid-centroid distances = 3.787?(2)?Å] and C-H?O inter-molecular hydrogen-bonding inter-actions.