scholarly journals Crystal structures of tetrakis(pyridine-4-thioamide-κN)bis(thiocyanato-κN)cobalt(II) monohydrate and bis(pyridine-4-thioamide-κN)bis(thiocyanato-κN)zinc(II)

2018 ◽  
Vol 74 (2) ◽  
pp. 141-146 ◽  
Author(s):  
Tristan Neumann ◽  
Inke Jess ◽  
Christian Näther
Keyword(s):  
Hydrogen Bonding ◽  
Water Molecule ◽  
Crystal Structures ◽  
Rotation Axis ◽  
Three Dimensional ◽  
Water Molecules ◽  
Asymmetric Unit ◽  
Dimensional Network ◽  
Distorted Octahedral ◽  
Host Structure

Reaction of Co(NCS)2 and Zn(NCS)2 with 4-pyridinethioamide led to the formation of compounds with composition [Co(NCS)2(C6H6N2S)4]·H2O (1) and [Zn(NCS)2(C6H6N2S)2] (2), respectively. The asymmetric unit of compound 1, consists of one cobalt(II) cation, two thiocyanate anions, four 4-pyridinethioamide ligands and one water molecule whereas that of compound 2 comprises one zinc(II) cation that is located on a twofold rotation axis as well as one thiocyanate anion and one 4-pyridinethioamide ligand in general positions. In the structure of compound 1, the cobalt(II) cations are octahedrally coordinated by two terminal N-bonding thiocyanate anions and by the N atoms of four 4-pyridinethioamide ligands, resulting in discrete and slightly distorted octahedral complexes. These complexes are linked into a three-dimensional network via intermolecular N—H...S hydrogen bonding between the amino H atoms and the thiocyanate S atoms. From this arrangement, channels are formed in which the water molecules are embedded and linked to the host structure by intermolecular O—H...S and N—H...O hydrogen bonding. In the structure of compound 2, the zinc(II) cations are tetrahedrally coordinated by two N-bonding thiocyanate anions and the N atoms of two 4-pyridinethioamide ligands into discrete complexes. These complexes are likewise connected into a three-dimensional network by intermolecular N—H...S hydrogen bonding between the amino H atoms and the thioamide S atoms.

scholarly journals Crystal structure of bis(pyridine-4-carbothioamide-κN1)bis(thiocyanato-κN)cobalt(II) methanol monosolvate

2017 ◽  
Vol 73 (11) ◽  
pp. 1786-1789 ◽  
Author(s):  
Tristan Neumann ◽  
Inke Jess ◽  
Christian Näther
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Title Compound ◽  
Three Dimensional ◽  
Methanol Molecule ◽  
Asymmetric Unit ◽  
Dimensional Network ◽  
Distorted Octahedral ◽  
Host Structure

The asymmetric unit of the title compound, [Co(NCS)2(C6H6NS)4]·CH3OH, consists of one cobalt(II) cation, two thiocyanate anions, four pyridine-4-carbothioamide ligands and one methanol molecule that are located in general positions. The CoIIcations are coordinated by two terminal N-bonding thiocyanate anions and four N-bonding pyridine-4-carbothioamide ligands, resulting in discrete and slightly distorted octahedral complexes. These complexes are linked into a three-dimensional networkviaintermolecular N—H...S hydrogen bonding between the amino H atoms and the thiocyanate and pyridine-4-carbothioamide S atoms. From this arrangement, channels are formed in which the methanol solvate molecules are embedded and linked to the host structure by intermolecular O—H...S and N—H...O hydrogen bonding.

scholarly journals 1-(4-Hydroxyphenyl)piperazine-1,4-diium tetrachloridocobalt(II) monohydrate

2014 ◽  
Vol 70 (2) ◽  
pp. m75-m75 ◽  
Author(s):  
Marwa Mghandef ◽  
Habib Boughzala
Keyword(s):  
Hydrogen Bonds ◽  
Water Molecule ◽  
Three Dimensional ◽  
Organic Cations ◽  
Water Molecules ◽  
Asymmetric Unit ◽  
Hybrid Compound ◽  
Organic Hybrid ◽  
Compound C ◽  
Dimensional Network

The asymmetric unit of the title inorganic–organic hybrid compound, (C10H16N2O)[CoCl4]·H2O, consists of a tetrahedral [CoCl4]2−anion, together with a [C10H18N2O]2+cation and a water molecule. Crystal cohesion is achieved through N—H...Cl, O—H...Cl and N—H...O hydrogen bonds between organic cations, inorganic anions and the water molecules, building up a three-dimensional network.

scholarly journals Crystal structure ofcatena-poly[[diaquabis(4-formylbenzoato-κO1)cobalt(II)]-μ-pyrazine-κ2N:N′]

2015 ◽  
Vol 71 (4) ◽  
pp. 339-341 ◽  
Author(s):  
Gülçin Şefiye Aşkın ◽  
Fatih Çelik ◽  
Nefise Dilek ◽  
Hacali Necefoğlu ◽  
Tuncer Hökelek
Keyword(s):  
Hydrogen Bonds ◽  
Rotation Axis ◽  
Three Dimensional ◽  
Water Molecules ◽  
Carboxylate Group ◽  
Polymeric Compound ◽  
Distorted Octahedral Coordination ◽  
Linear Chains ◽  
Dimensional Network ◽  
Distorted Octahedral

In the title polymeric compound, [Co(C8H5O3)2(C4H4N2)(H2O)2]n, the CoIIatom is located on a twofold rotation axis and has a slightly distorted octahedral coordination sphere. In the equatorial plane, it is coordinated by two carboxylate O atoms of two symmetry-related monodentate formylbenzoate anions and by two N atoms of two bridging pyrazine ligands. The latter are bisected by the twofold rotation axis. The axial positions are occupied by two O atoms of the coordinating water molecules. In the formylbenzoate anion, the carboxylate group is twisted away from the attached benzene ring by 7.50 (8)°, while the benzene and pyrazine rings are oriented at a dihedral angle of 64.90 (4)°. The pyrazine ligands bridge the CoIIcations, forming linear chains running along theb-axis direction. Strong intramolecular O—H...O hydrogen bonds link the water molecules to the carboxylate O atoms. In the crystal, weak O—Hwater...Owaterhydrogen bonds link adjacent chains into layers parallel to thebcplane. The layers are linkedviaC—Hpyrazine...Oformylhydrogen bonds, forming a three-dimensional network. There are also weak C—H...π interactions present.

Redetermination of trans-diaquabis(picolinato-κ2 N,O)cobalt(II) dihydrate

2006 ◽  
Vol 62 (4) ◽  
pp. m796-m798 ◽  
Author(s):  
Zerrin Heren ◽  
Cem Cüneyt Ersanlı ◽  
Cem Keser ◽  
Nazan Ocak Ískeleli
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Title Compound ◽  
Three Dimensional ◽  
Water Molecules ◽  
Inversion Center ◽  
Hydrogen Bonding Interactions ◽  
Dimensional Network ◽  
Distorted Octahedral

The crystal structure of the title compound, [Co(C6H4NO2)2(H2O)2]·2H2O, has been reinvestigated with improved precision [previous reports: Chang et al. (1972). J. Coord. Chem. 2, 31–34; Lumme et al. (1969). Suom. Kemistil. B, 42, 270]. In the title compound, the Co atom is located on an inversion center and its coordination can be described as slightly distorted octahedral, equatorially trans-coordinated by two N and O atoms of two picolinate ligands and axially coordinated by two O atoms of the water molecules. Intermolecular O—H...O and C—H...O hydrogen-bonding interactions result in the formation of an intricate three-dimensional network.

scholarly journals catena-Poly[[[triaquacobalt(II)]-μ-10-methylphenothiazine-3,7-dicarboxylato] monohydrate]

2012 ◽  
Vol 68 (4) ◽  
pp. m402-m403
Author(s):  
Yun-Xia Hu ◽  
Yan Zhou ◽  
Fang-Ming Wang ◽  
Wen-Wei Zhang
Keyword(s):  
Hydrogen Bonding ◽  
Three Dimensional ◽  
Water Molecules ◽  
Hydrogen Bonding Interactions ◽  
Octahedral Environment ◽  
Carboxylate Groups ◽  
Dimensional Network ◽  
Distorted Octahedral ◽  
Benzene Rings ◽  
Interchain Interactions

The polymeric title compound, {[Co(C15H9NO4S)(H2O)3]·H2O}n, consists of chains along [001] made up from Co2+ions bridged by 10-methylphenothiazine-3,7-dicarboxylate anions. The Co2+ion, coordinated by three O atoms from two different carboxylate groups and three water molecules, displays a distorted octahedral environment. In the crystal, π–π interchain interactions, with centroid–centroid distances of 3.656 (2) and 3.669 (2) Å between the benzene rings of the ligands, assemble the chains into sheets parallel to (100). O—H...O hydrogen-bonding interactions between the coordinating water molecules and carboxylate O atoms link the sheets into a three-dimensional network.

scholarly journals Crystal structure of melaminium cyanoacetate monohydrate

2020 ◽  
Vol 76 (10) ◽  
pp. 1645-1648
Author(s):  
Bhawani Sigdel Regmi ◽  
Allen Apblett ◽  
Douglas Powell
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Water Molecule ◽  
Title Compound ◽  
Three Dimensional ◽  
Membered Ring ◽  
Water Molecules ◽  
Asymmetric Unit ◽  
Dimensional Network

The asymmetric unit of the title compound, 2,4,6-triamino-1,3,5-triazin-1-ium cyanoacetate monohydrate, C3H7N6 +·NCCH2COO−·H2O, consists of a melaminium cation, a cyanoacetate anion and a water molecule, which are connected to each other via N—H...O and O—H...O hydrogen bonds, generating an eight-membered ring. In the crystal, the melaminium cations are connected by two pairs of N—H...N hydrogen bonds, forming tapes along [110]. These tapes develop a three-dimensional network through N—H...O, O—H...O, N—H...N and C—H...O hydrogen bonds between the cations, anions and water molecules.

scholarly journals Hexaaquabis[3,5-bis(hydroxyimino)-1-methyl-2,4,6-trioxocyclohexanido-κ2N3,O4]barium tetrahydrate

2013 ◽  
Vol 69 (11) ◽  
pp. m602-m603
Author(s):  
Nguyen Dinh Do ◽  
Olga Kovalchukova ◽  
Adam Stash ◽  
Svetlana Strashnova
Keyword(s):  
Hydrogen Bonding ◽  
Title Compound ◽  
Rotation Axis ◽  
Three Dimensional ◽  
Keto Group ◽  
Water Molecules ◽  
Lattice Water ◽  
Dimensional Network

In the title compound, [Ba(C7H5N2O5)2(H2O)6]·4H2O, the Ba2+cation lies on a twofold rotation axis and is ten-coordinated by two 3,5-bis(hydroxyimino)-1-methyl-2,4,6-trioxocyclohexanide oxo O atoms [Ba—O = 2.8715 (17) Å], two hydroxyimino N atoms [Ba—N = 3.036 (2) Å], and six water molecules [Ba—O = 2.847 (2), 2.848 (2), and 2.880 (2) Å]. The 3,5-bis(hydroxyimino)-1-methyl-2,4,6-trioxocyclohexanide monoanions act in a bidentate chelating manner, coordinating through an N atom of the non-deprotonated hydroxyimino group and an O atom of the neighboring oxo group. Two lattice water molecules are located in the cavities of the framework and are involved in hydrogen bonding to O atoms of one of the coordinating water molecules and the O atom of a keto group of the ligand. As a result, a three-dimensional network is formed.

scholarly journals Bis(μ-4-amino-N-oxidobenzamide)bis[(4-amino-N-oxidobenzamide)aquacobalt] dihydrate

IUCrData ◽  
2016 ◽  
Vol 1 (10) ◽  
Author(s):  
Xulong Ding ◽  
Li Li
Keyword(s):  
Water Molecule ◽  
Binuclear Complex ◽  
Complex Molecule ◽  
Three Dimensional ◽  
Octahedral Geometry ◽  
Distorted Octahedral Geometry ◽  
Water Molecules ◽  
Solvent Water ◽  
Dimensional Network ◽  
Distorted Octahedral

The structure of the title compound, [Co2(C7H7N2O2)4(H2O)2]·2H2O, consists of a centrosymmetric binuclear [Co2(4-Apha)4(H2O)2] complex molecule (4-AphaH = 4-aminophenylhydroxamic acid), and two solvent water molecules. Each CoII cation is six coordinate, binding five oxygen atoms from three 4-Apha− ligands and a water molecule in a slightly distorted octahedral geometry. Two of the 4-Apha− ligands bridge two neighbouring CoII ions to form the binuclear complex. A three-dimensional network structure is generated by O—H...O, N—H...O, and N—H...N hydrogen bonds.

scholarly journals Crystal structure ofcis-aquachloridobis(1,10-phenanthroline-κ2N,N′)chromium(III) tetrachloridozincate monohydrate from synchrotron data

2015 ◽  
Vol 71 (3) ◽  
pp. 288-290 ◽  
Author(s):  
Dohyun Moon ◽  
Jong-Ha Choi
Keyword(s):  
Hydrogen Bonding ◽  
Three Dimensional ◽  
Water Molecules ◽  
Coordination Environment ◽  
Bond Lengths ◽  
Hydrogen Bonding Pattern ◽  
Dimensional Network ◽  
Distorted Octahedral ◽  
Cl Atom ◽  
Distorted Octahedral Coordination Environment

The structure of the title compound, [CrCl(C12H8N2)2(H2O)][ZnCl4]·H2O, has been determined from synchrotron data. The CrIIIion is bonded to four N atoms from two 1,10-phenanthroline (phen) ligands, one water molecule and a Cl atom in acisarrangement, displaying an overall distorted octahedral coordination environment. The Cr—N(phen) bond lengths are in the range of 2.0495 (18) to 2.0831 (18) Å, while the Cr—Cl and Cr—(OH2) bond lengths are 2.2734 (7) and 1.9986 (17) Å, respectively. The tetrahedral [ZnCl4]2−anion is slightly distorted owing to its involvement in O—H...Cl hydrogen bonding with coordinating and non-coordinating water molecules. The two types of water molecules also interact through O—H...O hydrogen bonds. The observed hydrogen-bonding pattern leads to the formation of a three-dimensional network structure.

scholarly journals Crystal structure of bis{N-[2-(dimethylamino)ethyl]quinolin-8-amine-κ3N,N′,N′′}nickel(II) dichloride 3.5-hydrate

2014 ◽  
Vol 70 (9) ◽  
pp. m339-m340
Author(s):  
Benson M. Kariuki ◽  
Abdul-Razak H. Al-Sudani
Keyword(s):  
Crystal Structure ◽  
Metal Ion ◽  
Complex Cation ◽  
Three Dimensional ◽  
Water Molecules ◽  
Asymmetric Unit ◽  
Hydrogen Bonding Interactions ◽  
Dimensional Network ◽  
Distorted Octahedral ◽  
Amine Ligands

In the title compound, [Ni(C13H17N3)2]Cl2·3.5H2O, the geometry of the NiN6complex cation is slightly distorted octahedral, with a facial arrangement of the two tridentateN-[2-(dimethylamino)ethyl]quinolin-8-amine ligands around the metal ion. The asymmetric unit consists of two independent complex half-molecules located on centres of inversion, together with two chloride counter-anions and 3.5 water molecules of solvation, one of which is disordered across an inversion centre. In the crystal, O—H...O, O—H...Cl and N—H...Cl hydrogen-bonding interactions form a three-dimensional network structure.

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