scholarly journals (2-Amino-7-methyl-4-oxidopteridine-6-carboxylato-κ3O4,N5,O6)aqua(ethane-1,2-diamine-κ2N,N′)nickel(II) dihydrate

2013 ◽  
Vol 69 (2) ◽  
pp. m99-m100 ◽  
Author(s):  
Siddhartha S. Baisya ◽  
Parag S. Roy
Keyword(s):  
Three Dimensional ◽  
Octahedral Geometry ◽  
Distorted Octahedral Geometry ◽  
Water Molecules ◽  
Complex Molecules ◽  
Lattice Water ◽  
Dimensional Network ◽  
Centroid Distance ◽  
Distorted Octahedral ◽  
The Mean

The NiIIatom in the title complex, [Ni(C8H5N5O3)(C2H8N2)(H2O)]·2H2O, is six-coordinated in a distorted octahedral geometry by a tridentate 2-amino-7-methyl-4-oxidopteridine-6-carboxylate (pterin) ligand, a bidentate ancillary ethane-1,2-diamine (en) ligand and a water molecule. The pterin ligand forms two chelate rings. The en and pterin ligands are arranged nearly orthogonally [dihedral angle between the mean plane of the en molecule and the pterin ring = 77.1 (1)°]. N—H...O, O—H...N and O—H...O hydrogen bonds link the complex molecules and lattice water molecules into a three-dimensional network. π–π interactions are observed between the pyrazine and pyrimidine rings [centroid–centroid distance = 3.437 (2) Å].

scholarly journals Crystal structure of the tetraaquabis(thiocyanato-κN)cobalt(II)–caffeine–water (1/2/4) co-crystal

2017 ◽  
Vol 73 (7) ◽  
pp. 980-982
Author(s):  
H. El Hamdani ◽  
M. El Amane ◽  
C. Duhayon
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Octahedral Geometry ◽  
Distorted Octahedral Geometry ◽  
Water Molecules ◽  
Complex Molecules ◽  
Dimensional Network ◽  
Centroid Distance ◽  
Distorted Octahedral

In the structure of the title compound [systematic name: tetraaquabis(thiocyanato-κN)cobalt(II)–1,3,7-trimethyl-1,2,3,6-tetrahydro-7H-purine-2,6-dione–water (1/2/4)], [Co(NCS)2(H2O)4]·2C8H10N4O2·4H2O, the cobalt(II) cation lies on an inversion centre and is coordinated in a slightly distorted octahedral geometry by the oxygen atoms of four water molecules and two N atoms of twotrans-arranged thiocyanate anions. In the crystal, the complex molecules interact with the caffeine molecules through O—H...N, O—H...O and C—H...S hydrogen bonds and π–π interactions [centroid-to-centroid distance = 3.4715 (5) Å], forming layers parallel to theabplane, which are further connected into a three-dimensional network by O—H...O and O—H...S hydrogen bonds involving the non-coordinating water molecules.

Bis[1,3-bis(1H-benzimidazol-2-yl)benzene-κN 3]bis(nitrato-κ2 O,O′)cadmium(II) dihydrate

2007 ◽  
Vol 63 (11) ◽  
pp. m2752-m2752 ◽  
Author(s):  
Fa-Yan Meng ◽  
Yi-Ming Zhang ◽  
Seik Weng Ng
Keyword(s):  
Crystal Structure ◽  
Three Dimensional ◽  
Octahedral Geometry ◽  
Title Complex ◽  
Distorted Octahedral Geometry ◽  
Water Molecules ◽  
Complex Molecules ◽  
Solvent Water ◽  
Dimensional Network ◽  
Distorted Octahedral

In the title complex, [Cd(NO3)2(C20H14N4)2]·2H2O, the CdII ion, which lies on a crystallographic twofold axis, is bis-chelated by two nitrate ligands and is coordinated by one tertiary N atom from each of two 1,3-bis(1H-benzimidazol-2-ylmethyl)benzene ligands in a distorted octahedral geometry. In the crystal structure, complex molecules and solvent water molecules are connected via hydrogen bonds to form a three-dimensional network.

scholarly journals Crystal structure of bis[(1-ammonio-1-phosphonoethyl)phosphonato]tetraaquacadmium dihydrate: a powder X-ray diffraction study

2015 ◽  
Vol 71 (4) ◽  
pp. 342-345 ◽  
Author(s):  
Mwaffak Rukiah ◽  
Thaer Assaad
Keyword(s):  
Complex Molecule ◽  
Three Dimensional ◽  
Distorted Octahedral Geometry ◽  
Water Molecules ◽  
X Ray Diffraction ◽  
Complex Molecules ◽  
Lattice Water ◽  
Dimensional Network ◽  
Distorted Octahedral ◽  
Ring Motif

In the title compound, [CdL2(H2O)4]·2H2O [L= (1-ammonio-1-phosphonoethyl)phosphonate, C2H8NO6P2−], the CdIIion is situated on an inversion centre being coordinated by four aqua molecules in the equatorial plane and two phosphonate O atoms from two deprotonatedLligands in the axial positions in a distorted octahedral geometry. The asymmetric unit contains one-half of the complex molecule and one lattice water molecule. The ligandLexists in a zwitterionic form, with a positive charge on the NH3group and a negative charge on the O atom of the non-coordinating phosphonate group, and with an intramolecular O—H...O interaction forming anS(6) ring motif and two intramolecular N—H...O interactions each generating anS(5) ring motif. In the crystal, N—H...O and O—H...O hydrogen bonds link the complex molecules into a three-dimensional network in which the voids of 38 Å3are filled with ordered lattice water molecules, which are also involved in O—H...O hydrogen bonding.

scholarly journals Aqua(4-bromobenzoato-κO)bis(1,10-phenanthroline-κ2N,N′)manganese(II) 4-bromobenzoate dihydrate

IUCrData ◽  
2016 ◽  
Vol 1 (5) ◽  
Author(s):  
Ling-Xia Hu ◽  
Bi-Song Zhang
Keyword(s):  
Complex Cation ◽  
Three Dimensional ◽  
Octahedral Geometry ◽  
Distorted Octahedral Geometry ◽  
Water Molecules ◽  
Stacking Interactions ◽  
Asymmetric Unit ◽  
Lattice Water ◽  
Dimensional Network ◽  
Distorted Octahedral

The asymmetric unit of the title compound, [Mn(C7H4BrO2)(C12H8N2)2(H2O)](C7H4BrO2)·2H2O, consists of a monovalent [Mn(C7H4BrO2)(C12H8N2)2(H2O)]+complex cation, a 4-bromobenzoate anion and two lattice water molecules. In the complex cation, the MnIIatom is coordinated by four N atoms from two bidentate chelating 1,10-phenanthroline (phen) ligands and two O atoms, one from a 4-bromobenzoate anion and the other from a coordinating water molecule. This completes an MnN4O2coordination sphere with a distorted octahedral geometry. The Br atom of the bromobenzoato ligand is equally disordered over two sites. In the crystal, the complex cations are connected to each otherviaO—H...O, O—H...Br and C—H...O hydrogen bonds and π–π stacking interactions [closest separation = 3.492 (4) Å]. π–π contacts [closest separation = 3.771 (4) Å] also link the complex cations to both the coordinated and non-coordinating 4-bromobenzoate anions. Overall, these contacts generate a three-dimensional network structure.

scholarly journals 2-Amino-5-chloropyridinium cis-diaquadioxalatochromate(III) sesquihydrate

2012 ◽  
Vol 68 (6) ◽  
pp. m824-m825 ◽  
Author(s):  
Ichraf Chérif ◽  
Jawher Abdelhak ◽  
Mohamed Faouzi Zid ◽  
Ahmed Driss
Keyword(s):  
Rotation Axis ◽  
Three Dimensional ◽  
Octahedral Geometry ◽  
Distorted Octahedral Geometry ◽  
Water Molecules ◽  
Lattice Water ◽  
Compound C ◽  
Hydrogen Bonding Interactions ◽  
Distorted Octahedral ◽  
Independent Lattice

In the crystal structure of the title compound, (C5H6ClN2)[Cr(C2O4)2(H2O)2]·1.5H2O, the CrIII atom adopts a distorted octahedral geometry being coordinated by two O atoms of two cis water molecules and four O atoms from two chelating oxalate dianions. The cis-diaquadioxalatochromate(III) anions, 2-amino-5-chloropyridinium cations and uncoordinated water molecules are linked into a three-dimensional supramolecular array by O—H...O and N—H...O hydrogen-bonding interactions. One of the two independent lattice water molecules is situated on a twofold rotation axis.

scholarly journals Bis(2,2′,2′′-nitrilotriacetamide-κ3O,N,O′)nickel(II) dinitrate tetrahydrate

2013 ◽  
Vol 69 (2) ◽  
pp. m89-m89 ◽  
Author(s):  
Xiao-Hui Deng ◽  
Qi-Jun Nie ◽  
Feng-Juan Zhu
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Three Dimensional ◽  
Octahedral Geometry ◽  
Distorted Octahedral Geometry ◽  
Water Molecules ◽  
Inversion Center ◽  
Lattice Water ◽  
Distorted Octahedral ◽  
Nitrate Anions

In the title compound, [Ni(C6H12N4O3)2](NO3)2·4H2O, the NiIIcation is located on an inversion center and isN,O,O′-chelated by two nitrilotris(acetamide) molecules in a distorted octahedral geometry. The complex cations, nitrate anions and lattice water molecules are connected by O—H...O and N—H...O hydrogen bonds, forming a three-dimensional supramolecular structure.

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 Poly[[μ-chlorido-μ-[2-(2,4-difluorophenyl)-1,3-bis(1,2,4-triazol-1-yl)propan-2-ol-κ2N4:N4′]-zinc] chloride dihydrate]

2013 ◽  
Vol 69 (11) ◽  
pp. m573-m573 ◽  
Author(s):  
Gang-Hong Pan ◽  
Jin-Niu Tang ◽  
Shi-Hua Xu ◽  
Zhong-Jing Huang ◽  
Bo-Fa Mo
Keyword(s):  
Octahedral Geometry ◽  
Distorted Octahedral Geometry ◽  
Water Molecules ◽  
Chloride Dihydrate ◽  
Lattice Water ◽  
Free Chloride ◽  
Centroid Distance ◽  
Distorted Octahedral ◽  
Dinuclear Unit ◽  
Cl Atoms

The title compound, {[ZnCl(C13H12F2N6O)2]Cl·2H2O}n, is a two-dimensional coordination polymer. The ZnIIatom is six-coordinated by four N atoms from four 2-(2,4-difluorophenyl)-1,3-bis(1,2,4-triazol-1-yl)propan-2-ol (HFlu) ligands and by two Cl atoms in a distorted octahedral geometry. Two Cl atoms bridge two ZnIIatoms, forming a centrosymmetric dinuclear unit. The HFlu ligands connect the dinuclear units into a 44net parallel to (001) when the dinuclear unit is considered as a node. O—H...O and O—H...Cl hydrogen bonds link the cationic layer, free chloride anions and lattice water molecules. Intralayer π–π interactions between the triazole rings are observed [centroid–centroid distance = 3.716 (6) Å].

scholarly journals Crystal structure of tetraaquabis(thiocyanato-κN)nickel(II)–2,5-dimethylpyrazine (1/4)

2015 ◽  
Vol 71 (2) ◽  
pp. m18-m18 ◽  
Author(s):  
Stefan Suckert ◽  
Mario Wriedt ◽  
Inke Jess ◽  
Christian Näther
Keyword(s):  
Crystal Structure ◽  
Three Dimensional ◽  
Distorted Octahedral Geometry ◽  
Water Molecules ◽  
Complex Molecules ◽  
Dimensional Network ◽  
Distorted Octahedral ◽  
Thiocyanate Ligand ◽  
Water Ligands ◽  
Discrete Complex

In the crystal structure of the title compound, [Ni(NCS)2(H2O)4]·4C6H8N2, the NiIIcations are coordinated by four water ligands and twotrans-coordinated terminallyN-bonded thiocyanate anions in a slightly distorted octahedral geometry. The asymmetric unit consists of a Ni2+cation located on a centre of inversion, two water molecules and one thiocyanate ligand, as well as two uncoordinated 2,5-dimethylpyrazine ligands in general positions. In the crystal, discrete complex molecules are linked into a three-dimensional network by O—H...N hydrogen bonding between the water H atoms and the 2,5-dimethylpyrazine N atoms.

scholarly journals Bis(2,2′-bipyridine)[1,9-bis(diphenylphosphanyl)-1,2,3,4,6,7,8,9-octahydropyrimido[1,2-a]pyrimidin-5-ium]ruthenium(II) hexafluoridophosphate dibromide dichloromethane disolvate monohydrate

2013 ◽  
Vol 69 (12) ◽  
pp. m640-m641 ◽  
Author(s):  
Congcong Shang ◽  
Laure Vendier ◽  
Pierre Sutra ◽  
Alain Igau
Keyword(s):  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Octahedral Geometry ◽  
Title Complex ◽  
Distorted Octahedral Geometry ◽  
Water Molecules ◽  
Dimensional Network ◽  
Distorted Octahedral ◽  
Solvent Molecules ◽  
Cl Atom

In the cation of the title complex, [Ru(C31H32N3P2)(C10H8N2)2](PF6)(Br)2·2CH2Cl2·H2O, the ruthenium ion is coordinated in a distorted octahedral geometry by two 2,2′-bipyridine (bpy) ligands and a chelating cationicN-diphenylphosphino-1,3,4,6,7,8-hexahydro-2-pyrimido[1,2-a]pyrimidine [(PPh2)2-hpp] ligand. The tricationic charge of the complex is balanced by two bromide and one hexafluoridophosphate counter-anions. The compound crystallized with two molecules of dichloromethane (one of which is equally disordered about a Cl atom) and a water molecule. In the crystal, one of the Br anions bridges two water moleculesviaO—H...Br hydrogen bonds, forming a centrosymmetric diamond-shapedR42(8) motif. The cation and anions and the solvent molecules are linkedviaC—H...F, C—H...Br, C—H...Cl and C—H...O hydrogen bonds, forming a three-dimensional network.

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