Poly[[[aqua(1,10-phenanthroline)cobalt(II)]-μ3-4-bromoisophthalato] monohydrate]

2006 ◽  
Vol 62 (4) ◽  
pp. m668-m670
Author(s):  
Xin-Gen Hu ◽  
Hong-Ping Xiao
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Water Molecule ◽  
Title Compound ◽  
Coordination Geometry ◽  
Carboxylate Groups ◽  
Phenanthroline Ligand

In the title compound, {[Co(C8H3BrO4)(C12H8N2)(H2O)]·H2O} n , each CoII ion is six-coordinated by three O atoms from three carboxylate groups of three 4-bromoisophthalate dianions, one water molecule, and two N atoms from a 1,10-phenanthroline ligand. The coordination geometry around the CoII cation is octahedral. Whereas the 1,10-phenanthroline ligand chelates to just one CoII cation, the 4-bromoisophthalate dianions are bonded to three CoII cations. The crystal structure is stabilized by several hydrogen bonds.

scholarly journals Poly[[{μ4-2,2′-[butane-1,4-diylbis(sulfanediyl)]bis(1,3,4-thiadiazole)}silver(I)] perchlorate sesquihydrate]

2012 ◽  
Vol 68 (6) ◽  
pp. m845-m845
Author(s):  
Jia-Jia Li ◽  
Wei-Min Zhu
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Water Molecule ◽  
Title Compound ◽  
Coordination Geometry

In the polymeric title compound, {[Ag(C8H10N4S4)]ClO4·1.5H2O} n , the AgI atom has a slightly distorted trigonal-planar coordination geometry provided by three N-atom donors from the thiadiazole rings of three symmetry-related 2,2′-[butane-1,4-diylbis(sulfanediyl)]bis(1,3,4-thiadiazole) ligands. Centrosymmetrically related AgI atoms are bridged by the N–N fragments of rings, forming six-membered dinuclear metallacycles, which are further linked by the alkyl spacers of the thiadiazole ligands into a layer network extending parallel to (0-21). The crystal structure is stabilized by intermolecular O—H...O hydrogen bonds. The O atoms of the perchlorate anion and one water molecule are disordered over two sets of sites with refined occupancy ratios of 0.640 (6):0.360 (6) and 0.663 (11):0.337 (11), respectively. The second water molecule shows half-occupancy.

catena-Poly[[[aquacopper(II)]-μ-2-(hydroxyphosphonato)acetato] dihydrate]

2007 ◽  
Vol 63 (11) ◽  
pp. m2646-m2647 ◽  
Author(s):  
Jing Li ◽  
Dapeng Dong ◽  
Yanyu Zhu ◽  
Zhengang Sun ◽  
Hui Chen
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Water Molecule ◽  
Title Compound ◽  
Hydrothermal Reaction ◽  
Water Molecules ◽  
Coordination Geometry ◽  
Coordinated Water ◽  
Hydroxy Groups

The title compound, [Cu{HO3PCH(OH)CO2}(H2O)]·2H2O, was prepared by a hydrothermal reaction. The distorted square-pyramidal coordination geometry of copper(II) is built up of one phosphonate O atom, one hydroxy O atom, two carboxylate O atoms and one water molecule. In the crystal structure, a number of O—H...O hydrogen bonds involving the hydroxy groups, carboxylate O atoms, phosphonate O atoms, and uncoordinated and coordinated water molecules are found.

scholarly journals Crystal structure of bis(azido-κN)bis[2,5-bis(pyridin-2-yl)-1,3,4-thiadiazole-κ2N2,N3]cobalt(II)

2015 ◽  
Vol 71 (5) ◽  
pp. 452-454 ◽  
Author(s):  
Abdelhakim Laachir ◽  
Fouad Bentiss ◽  
Salaheddine Guesmi ◽  
Mohamed Saadi ◽  
Lahcen El Ammari
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Title Complex ◽  
Octahedral Coordination ◽  
Maximum Deviation ◽  
Coordination Geometry ◽  
Acta Cryst ◽  
Π Interactions ◽  
The Mean

In the mononuclear title complex, [Co(N3)2(C12H8N4S)2], the cobalt(II) atom is located on an inversion centre and displays an axially weakly compressed octahedral coordination geometry. The equatorial positions are occupied by the N atoms of two 2,5-bis(pyridin-2-yl)-1,3,4-thiadiazole ligands, whereas the axial positions are occupied by N atoms of the azide anions. The thiadiazole and pyridine rings linked to the metal are almost coplanar, with a maximum deviation from the mean plane of 0.0273 (16) Å. The cohesion of the crystal is ensured by weak C—H...N hydrogen bonds and by π–π interactions between pyridine rings [intercentroid distance = 3.6356 (11) Å], forming a layered arrangement parallel to (001). The structure of the title compound is isotypic with that of the analogous nickel(II) complex [Laachiret al.(2013).Acta Cryst.E69, m351–m352].

6,9-Dibromo-2a,10b-diphenyl-2a,5,10,10b-tetrahydro-2H,3H-2,3,4a,10a-tetraazabenzo[g]cyclopenta[cd]azulene-1,4-dione monohydrate

2006 ◽  
Vol 62 (5) ◽  
pp. o1754-o1755
Author(s):  
Neng-Fang She ◽  
Sheng-Li Hu ◽  
Hui-Zhen Guo ◽  
An-Xin Wu
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Water Molecule ◽  
Title Compound ◽  
Supramolecular Structure ◽  
Hydrogen Bond Donor ◽  
Hydrogen Bond Acceptor ◽  
Compound C ◽  
Bifurcated Hydrogen Bond

The title compound, C24H18Br2N4O2·H2O, forms a supramolecular structure via N—H...O, O—H...O and C—H...O hydrogen bonds. In the crystal structure, the water molecule serves as a bifurcated hydrogen-bond acceptor and as a hydrogen-bond donor.

scholarly journals Poly[μ2-aqua-bis[μ4-2-(1H-1,2,3-benzotriazol-1-yl)acetato]dipotassium]

2012 ◽  
Vol 68 (4) ◽  
pp. m379-m379 ◽  
Author(s):  
Qiong Liu
Keyword(s):  
Hydrogen Bonds ◽  
Water Molecule ◽  
Title Compound ◽  
Rotation Axis ◽  
Aqua Ligand ◽  
Octahedral Geometry ◽  
Two Dimensional ◽  
Compound K ◽  
Bridging Ligands ◽  
Carboxylate Groups

In the title compound, [K2(C8H6N3O2)2(H2O)]n, each K+ion is seven-coordinated by one O atom from a bridging water molecule, five carboxylate O atoms and one N atom from a benzotriazole group, forming a distorted mono-capped octahedral geometry. In the crystal, the carboxylate groups act as bridging ligands, forming a two-dimensional polymer parallel to (001). The aqua ligand, which lies on a twofold rotation axis, forms intermolecular O—H...O hydrogen bonds within these layers.

scholarly journals (2,2′-Bipyridine-κ2 N,N′)(pyridine-2,6-dicarboxylato-κ2 N,O)palladium(II) monohydrate

IUCrData ◽  
2019 ◽  
Vol 4 (12) ◽  
Author(s):  
Kwang Ha
Keyword(s):  
Hydrogen Bonds ◽  
Water Molecule ◽  
Title Compound ◽  
Coordination Geometry ◽  
Intermolecular Hydrogen Bonds ◽  
Complex Molecules ◽  
Solvent Water Molecule ◽  
Solvent Water ◽  
Square Planar ◽  
Bipyridine Ligand

In the title compound, [Pd(C7H3NO4)(C10H8N2)]·H2O, the PdII cation is four-coordinated in a distorted square-planar coordination geometry defined by the two N atoms of the 2,2′-bipyridine ligand, one O atom and one N atom from the pyridine-2,6-dicarboxylate anion. The complex and solvent water molecule are linked by intermolecular hydrogen bonds. In the crystal, the complex molecules are stacked in columns along the a axis.

scholarly journals Crystal structure ofcatena-poly[[aquabis(4-cyanobenzoato-κO)copper(II)]-μ-N,N-diethylnicotinamide-κ2N1:O]

2016 ◽  
Vol 72 (8) ◽  
pp. 1183-1186 ◽  
Author(s):  
Nurcan Akduran ◽  
Hacali Necefoğlu ◽  
Ömer Aydoğdu ◽  
Tuncer Hökelek
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Water Molecule ◽  
Cyano Group ◽  
Polymeric Compound ◽  
Carboxylate Groups ◽  
Square Planar ◽  
Benzene Rings ◽  
C And N ◽  
Polymeric Coordination

The asymmetric unit of the title polymeric compound, [Cu(C8H4NO2)2(C10H14N2O)(H2O)]n, contains one CuIIatom, one coordinating water molecule, two 4-cyanobenzoate (CB) ligands and one coordinatingN,N-diethylnicotinamide (DENA) molecule. The DENA ligand acts as a bis-monodentate ligand, while the CB anions are monodentate. Two O atoms of the CB ligands, one O atom of the water molecule and the pyridine N atom of the DENA ligand form a slightly distorted square-planar arrangement around the CuIIatom which is completed to a square-pyramidal coordination by the apically placed O atom of the DENA ligand, with a Cu—O distance of 2.4303 (15) Å. In the two CB anions, the carboxylate groups are twisted relative to the attached benzene rings by 2.19 (12) and 3.87 (15)°, while the benzene rings are oriented at a dihedral angle of 5.52 (8)°. The DENA ligands bridge adjacent Cu2+ions, forming polymeric coordination chains running along thebaxis. In the crystal, strong water–carboxylate O—H...O hydrogen bonds link adjacent chains into layers parallel to (10-1) and weak C—H...O hydrogen bonds further stabilize the crystal structure. The cyano group C and N atoms of one of the CB ligands are disordered over two sets of sites with equal occupancies.

scholarly journals Di-μ-hydroxido-bis[hemiaqua(N,N,N′,N′-tetramethylethane-1,2-diamine)copper(II)] bis(tetrafluoridoborate)

2012 ◽  
Vol 68 (6) ◽  
pp. m784-m784
Author(s):  
Jaroslava Haníková ◽  
Juraj Kuchár ◽  
Zdeněk Trávníček ◽  
Juraj Černák
Keyword(s):  
Hydrogen Bonds ◽  
Water Molecule ◽  
Title Compound ◽  
Basal Plane ◽  
Crystal Packing ◽  
Coordination Geometry ◽  
Apical Position

The title compound, [Cu2(OH)2(C6H16N2)2(H2O)](BF4)2, consists of dinuclear centrosymmetric [Cu2(OH)2(tmen)2(H2O)]2+ complex cations (tmen = N,N,N′,N′-tetramethylethane-1,2-diamine) and tetrafluoridoborate anions. In the cation, the CuII atom shows a slightly distorted square-pyramidal coordination geometry provided by a pair of μ-OH− anions and by the N atoms of a chelate tmen ligand in the basal plane. The apical position is statistically occupied by the O atom of a half-occupancy water molecule. The F atoms of the anion are disordered over three sets of sites with occupancies of 0.598 (9):0.269 (6):0.134 (8). The crystal packing is governed by ionic forces as well as by O—H...F hydrogen bonds.

Combining CDIF and PDF information in problem solving: Crystal structure of a corrosion deposit, hexaaquairon(II) trifluoromethanesulfonate

1999 ◽  
Vol 14 (3) ◽  
pp. 166-170
Author(s):  
J. A. Kaduk
Keyword(s):  
Crystal Structure ◽  
Problem Solving ◽  
Hydrogen Bonds ◽  
Water Molecule ◽  
Powder Diffraction ◽  
Title Compound ◽  
Monoclinic Space Group ◽  
Crystal Data ◽  
Major Phase ◽  
Corrosion Deposit

The title compound was identified as the major phase in a corrosion deposit by indexing its powder pattern, and locating an isostructural vanadium(II) compound in the NIST Crystal Data Identification File. The identity of the compound was confirmed by a Rietveld refinement. Hexaaquairon(II) trifluoromethanesulfonate crystallizes in the monoclinic space group C2/m, with a=18.6415(14), b=6.9291(5), c=6.5938(5) Å, β=104.742(6)°, V=823.68(10) Å3, and Z=2. The structure consists of alternating layers of octahedral hexaaquairon(II) cations and triflate anions. The cations and anions are linked into layers parallel to the bc plane by hydrogen bonds. Each water molecule donates two protons to sulfonate oxygens, and each sulfonate oxygen acts as an acceptor of two protons. A reference powder diffraction pattern is reported.

Bis(piperidinium) bis(1,2-dicyanoethene-1,2-dithiolato-κ2 S,S′)nickel(II)

2007 ◽  
Vol 63 (11) ◽  
pp. m2802-m2802 ◽  
Author(s):  
Yong Hou ◽  
Hongrong Zuo ◽  
Qian Huang ◽  
Chunlin Ni
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Coordination Geometry ◽  
Asymmetric Unit ◽  
Compound C ◽  
Square Planar

The title compound, (C5H12N)2[Ni(C4N2S2)2], is a new [Ni(mnt)2]2− salt (mnt2− is 1,2-dicyanoethene-1,2-dithiolate) with piperidinium [(PIH)+] cations. The NiII ion lies on an inversion centre and the asymmetric unit contains a (PIH)+ cation and one half of the [Ni(mnt)2]2− anion. The NiII ion exhibits a square-planar coordination geometry. In the crystal structure, weak C—H...N, C—H...S and C—H...Ni hydrogen bonds are observed between the anions and the cations.

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