scholarly journals Crystal structure oftrans-(1,8-dibutyl-1,3,6,8,10,13-hexaazacyclotetradecane-κ4N3,N6,N10,N13)bis(perchlorato-κO)copper(II) from synchrotron data

2015 ◽  
Vol 71 (2) ◽  
pp. 136-138 ◽  
Author(s):  
Dae-Woong Kim ◽  
Jong Won Shin ◽  
Dohyun Moon
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Bond Length ◽  
Macrocyclic Ligand ◽  
Three Dimensional ◽  
Distorted Octahedral Geometry ◽  
Inversion Center ◽  
Asymmetric Unit ◽  
Dimensional Network ◽  
Distorted Octahedral

The structure of the title compound, [Cu(ClO4)2(C16H38N6)] has been determined from synchrotron data, λ = 0.62988 Å. The asymmetric unit comprises one half of the CuIIcomplex as the CuIIcation lies on an inversion center. It is coordinated by the four secondary N atoms of the macrocyclic ligand and the mutuallytransO atoms of the two perchlorate ions in a tetragonally distorted octahedral geometry. The average equatorial Cu—N bond length is significantly shorter than the average axial Cu—O bond length [2.010 (4) and 2.569 (1) Å, respectively]. Intramolecular N—H...O hydrogen bonds between the macrocyclic ligand and uncoordinating O atoms of the perchlorate ligand stabilize the molecular structure. In the crystal structure, an extensive series of intermolecular N—H...O and C—H...O hydrogen bonds generate a three-dimensional network.

scholarly journals Tetraaquabis(N,N-dimethylformamide-κO)zinc(II) bis[(2-{3-[2-(carboxylatomethoxy-κ2 O,O′)phenyl]pyrazol-1-yl-κN 2}acetato-κO)chloridozincate(II)]

2012 ◽  
Vol 68 (6) ◽  
pp. m817-m817
Author(s):  
Jie Yang ◽  
Lei Shen ◽  
Cheng Ji ◽  
Xiao-Feng Shen ◽  
Gao-Weng Yang
Keyword(s):  
Three Dimensional ◽  
Dimensional Structure ◽  
Distorted Octahedral Geometry ◽  
Inversion Center ◽  
Asymmetric Unit ◽  
Pyramidal Geometry ◽  
Acetate Ligand ◽  
Dimensional Network ◽  
Distorted Octahedral ◽  
Cl Atom

The asymmetric unit of the title compound, [Zn(C3H7NO)2(H2O)4][Zn(C13H10N2O5)Cl]2, is composed of a single anion and half a cation. The ZnII atom in the monoanion has a distorted triganol–pyramidal geometry, being coordinated by three O atoms and one N atom from one 2-{3-[2-(carboxylatomethoxy)phenyl]pyrazol-1-yl}acetate ligand and one Cl atom. In the dication, the ZnII atom is located on an inversion center and is coordinated by six O atoms in a slightly distorted octahedral geometry. In the crystal, the ions are linked by O—H...O hydrogen bonds, forming a two-dimensional network lying parallel to the ab plane. There are also C—H...O and C—H...Cl interactions present, which lead to the formation of a three-dimensional structure.

scholarly journals Crystal structure of 4-(dimethylamino)pyridiniumcis-diaquabis(oxalato-κ2O,O′)ferrate(III) hemihydrate

2015 ◽  
Vol 71 (8) ◽  
pp. 934-936 ◽  
Author(s):  
Edith Dimitri Djomo ◽  
Frédéric Capet ◽  
Justin Nenwa ◽  
Michel M. Bélombé ◽  
Michel Foulon
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Bond Length ◽  
Three Dimensional ◽  
Coordination Environment ◽  
Distorted Octahedral Coordination ◽  
Dimensional Network ◽  
Distorted Octahedral ◽  
Ionic Components ◽  
Distorted Octahedral Coordination Environment

The FeIIIions in the hybrid title salt, (C7H11N2)[Fe(C2O4)2(H2O)2]·0.5H2O, show a distorted octahedral coordination environment, with four O atoms from two chelating oxalate dianions and two O atoms from twocisaqua ligands. The average Fe—O(oxalate) bond length [2.00 (2) Å] is shorter than the average Fe—O(water) bond length [2.027 (19) Å]. The ionic components are connectedviaintermolecular N—H...O and O—H...O hydrogen bonds into a three-dimensional network.

scholarly journals Crystal structure ofcatena-poly[[[trans-bis(acetonitrile-κN)diaquacobalt(II)]-μ-pyrazine-κ2N:N′] dinitrate]

2016 ◽  
Vol 72 (2) ◽  
pp. 151-154
Author(s):  
Chen Liu ◽  
Ashley C. Felts ◽  
Annaliese E. Thuijs ◽  
Aaron Useche ◽  
Khalil A. Abboud
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Structural Motif ◽  
Water Molecules ◽  
Inversion Center ◽  
Dimensional Network ◽  
Distorted Octahedral ◽  
A Chain ◽  
Nitrate Anions

The central structural motif of the title coordination polymer, [Co(NO3)2(C4H4N2)(CH3CN)2(H2O)2]n, is a chain composed of CoIIions linked by bis-monodentate bridging pyrazine ligands through their N atoms. The CoIIion is located on an inversion center and is additionally coordinated by two O atoms of water molecules and two N atoms of acetonitrile molecules. The resultant N4O2coordination sphere is distorted octahedral. The linear cationic chains extend parallel to theaaxis and are aligned into layers parallel to theacplane. Nitrate anions are situated in the space between the CoIIchains and form O—H...O hydrogen bonds with the coordinating water molecules, leading to a three-dimensional network structure. Weak C—H...O hydrogen bonds are also present between pyrazine or acetonitrile molecules and the nitrate anions.

scholarly journals Crystal structure of poly[[hexaqua-1κ4O,2κ2O-bis(μ3-pyridine-2,4-dicarboxylato-1κO2:2κ2N,O2′;1′κO4)cobalt(II)strontium(II)] dihydrate]

2015 ◽  
Vol 71 (9) ◽  
pp. m167-m168
Author(s):  
Zhaojun Yu ◽  
Peng Jiang ◽  
Yanmei Chen
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Distorted Octahedral Geometry ◽  
Water Molecules ◽  
Coordination Geometry ◽  
Polymeric Complex ◽  
Solvent Water ◽  
Dimensional Network ◽  
Distorted Octahedral

In the title polymeric complex, {[CoSr(C7H3NO4)2(H2O)6]·2H2O}n, the CoIIion, which is situated on a crystallographic centre of inversion, is six-coordinated by two O atoms and two N atoms from two pyridine-2,4-dicarboxylate (pydc2−) ligands and two terminal water molecules in a slightly distorted octahedral geometry, to form atrans-[Co(pydc)2(H2O)2]2−unit. The SrIIion, situated on aC2axis, is coordinated by four O atoms from four pydc2−ligands and four water molecules. The coordination geometry of the SrIIatom can be best described as a distorted dodecahedron. Each SrIIion bridges four [Co(pydc)2(H2O)2]2−units by four COO−groups of four pydc2−ligands to form a three-dimensional network structure. Two additional solvent water molecules are observed in the crystal structure and are connected to the three-dimensional coordination polymer by O—H...O hydrogen bonds. Further intra- and intermolecular O—H...O hydrogen bonds consolidate the overall structure.

scholarly journals Crystal structure of bis[(oxalato-κ2O1,O2)(1,4,8,11-tetraazacyclotetradecane-κ4N)chromium(III)] dichromate octahydrate from synchrotron X-ray data

2017 ◽  
Vol 73 (3) ◽  
pp. 403-406 ◽  
Author(s):  
Dohyun Moon ◽  
Jong-Ha Choi
Keyword(s):  
Crystal Structure ◽  
Three Dimensional ◽  
Distorted Octahedral Geometry ◽  
Water Molecules ◽  
Asymmetric Unit ◽  
Intermolecular Hydrogen Bonds ◽  
X Ray ◽  
Dimensional Network ◽  
Oxalate Ligand ◽  
Distorted Octahedral

The asymmetric unit of the title compound, [Cr(C2O4)(C10H24N4)]2[Cr2O7]·8H2O (C10H24N4= 1,4,8,11-tetraazacyclotetradecane, cyclam; C2O4= oxalate, ox) contains one [Cr(ox)(cyclam)]+cation, one half of a dichromate anion that lies about an inversion centre so that the bridging O atom is equally disordered over two positions, and four water molecules. The terminal O atoms of the dichromate anion are also disordered over two positions with a refined occupancy ratio 0.586 (6):0.414 (6). The CrIIIion is coordinated by the four N atoms of the cyclam ligand and one bidentate oxalato ligand in acisarrangement, resulting in a distorted octahedral geometry. The Cr—N(cyclam) bond lengths are in the range 2.069 (2)–2.086 (2) Å, while the average Cr—O(ox) bond length is 1.936 Å. The macrocyclic cyclam moiety adopts thecis-V conformation. The dichromate anion has a staggered conformation. The crystal structure is stabilized by intermolecular hydrogen bonds involving the cyclam N—H groups and water O—H groups as donors, and the O atoms of oxalate ligand, water molecules and the Cr2O72−anion as acceptors, giving rise to a three-dimensional network.

scholarly journals Poly[di-μ9-citrato-tetrasodiumzinc]

2013 ◽  
Vol 69 (12) ◽  
pp. m672-m672 ◽  
Author(s):  
Yu-Hong Ma ◽  
Hong-Wei Yang ◽  
Jing-Tuan Hao ◽  
Pi-Zhuang Ma ◽  
Ting Yao
Keyword(s):  
Three Dimensional ◽  
Octahedral Geometry ◽  
Distorted Octahedral Geometry ◽  
Inversion Center ◽  
Asymmetric Unit ◽  
Pyramidal Geometry ◽  
Carboxylate Groups ◽  
Dimensional Network ◽  
Distorted Octahedral ◽  
Square Pyramidal Geometry

In the title compound, [Na4Zn(C6H5O7)2]n, the ZnIIion lies on an inversion center and is coordinated by six O atoms from two citrate ligands, forming a distorted octahedral geometry. There are two crystallographically independent Na+cations in the asymmetric unit. One Na+cation exhibits a distorted square-pyramidal geometry defined by five O atoms from four citrate ligands. The other Na+cation is surrounded by six O atoms from five citrate ligands in a distorted octahedral geometry. The Na+cations are bridged by citrate carboxylate groups, forming a layer parallel to (100). The layers are further assembled into a three-dimensional network with the [Zn(citrate)2]4−building units as `pillars'; O—H...O hydrogen bonds also stabilize the structure.

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.

scholarly journals Crystal structure oftrans-(1,8-dibutyl-1,3,6,8,10,13-hexaazacyclotetradecane-κ4N3,N6,N10,N13)bis(5-methyltetrazolato-κN)nickel(II) from synchrotron data

2015 ◽  
Vol 71 (2) ◽  
pp. 173-175 ◽  
Author(s):  
Dae-Woong Kim ◽  
Jong Won Shin ◽  
Jin Hong Kim ◽  
Dohyun Moon
Keyword(s):  
Hydrogen Bond ◽  
Bond Length ◽  
Macrocyclic Ligand ◽  
Complex Molecule ◽  
Octahedral Geometry ◽  
Distorted Octahedral Geometry ◽  
Inversion Center ◽  
Asymmetric Unit ◽  
Square Planar ◽  
Distorted Octahedral

The structure of the title compound, [Ni(C2H3N4)2(C16H38N6)], has been characterized from synchrotron radiation. The asymmetric unit consists of one half of the NiIIcomplex molecule, which is related to the other half-molecule by an inversion center. The NiIIion is coordinated by four secondary N atoms of the macrocyclic ligand in a square-planar fashion in the equatorial plane and by two N atoms of the 5-methyltetrazolate anions in axial positions, resulting in a tetragonally distorted octahedral geometry. The average equatorial Ni—N bond length [2.060 (8) Å] is shorter than the axial Ni—N bond length [2.2183 (11) Å]. An intramolecular N—H...N hydrogen bond between the secondary amine N atom of the macrocyclic ligand and the non-coordinating N atom of the 5-methyltetrazolate ion stabilizes the molecular structure. Moreover, an intermolecular N—H...N hydrogen bond between the macrocyclic ligand and 5-methyltetrazolate group gives rise to a supramolecular sheet structure parallel to thebcplane.

scholarly journals Crystal structure of a looped-chain CoIIcoordination polymer:catena-poly[[bis(nitrato-κO)cobalt(II)]bis[μ-bis(pyridin-3-ylmethyl)sulfane-κ2N:N′]]

2017 ◽  
Vol 73 (11) ◽  
pp. 1700-1703 ◽  
Author(s):  
Suk-Hee Moon ◽  
Joobeom Seo ◽  
Ki-Min Park
Keyword(s):  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Distorted Octahedral Geometry ◽  
Stacking Interactions ◽  
Asymmetric Unit ◽  
Coordination Sites ◽  
Centroid Distance ◽  
Distorted Octahedral ◽  
Ring Centroid ◽  
Nitrate Anions

The asymmetric unit of the title compound, [Co(NO3)2(C12H12N2S)2]n, contains a bis(pyridin-3-ylmethyl)sulfane (L) ligand, an NO3−anion and half a CoIIcation, which lies on an inversion centre. The CoIIcation is six-coordinated, being bound to four pyridine N atoms from four symmetry-relatedLligands. The remaining coordination sites are occupied by two O atoms from two symmetry-related nitrate anions in a monodentate manner. Thus, the CoIIcentre adopts a distorted octahedral geometry. Two symmetry-relatedLligands are connected by two symmetry-related CoIIcations, forming a 20-membered cyclic dimer, in which the CoIIatoms are separated by 10.2922 (7) Å. The cyclic dimers are connected to each other by sharing CoIIatoms, giving rise to the formation of an infinite looped chain propagating along the [101] direction. Intermolecular C—H...π (H...ring centroid = 2.89 Å) interactions between one pair of correspondingLligands and C—H...O hydrogen bonds between theLligands and the nitrate anions occur in the looped chain. In the crystal, adjacent looped chains are connected by intermolecular π–π stacking interactions [centroid-to-centroid distance = 3.8859 (14) Å] and C—H...π hydrogen bonds (H...ring centroid = 2.65 Å), leading to the formation of layers parallel to (101). These layers are further connected through C—H...O hydrogen bonds between the layers, resulting in the formation of a three-dimensional supramolecular architecture.

scholarly journals Crystal structure ofcatena-poly[[[tetraaquairon(II)]-trans-μ-1,2-bis(pyridin-4-yl)ethene-κ2N:N′] bis(p-toluenesulfonate) methanol disolvate]

2017 ◽  
Vol 73 (12) ◽  
pp. 1977-1980
Author(s):  
Volodymyr M. Hiiuk ◽  
Diana D. Barakhty ◽  
Sergiu Shova ◽  
Ruslan A. Polunin ◽  
Il'ya A. Gural'skiy
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Distorted Octahedral Geometry ◽  
Water Molecules ◽  
Supramolecular Network ◽  
Polymeric Complex ◽  
Distorted Octahedral ◽  
Polymeric Chains ◽  
Coordinated Water

In the title polymeric complex, {[Fe(C12H10N2)2(H2O)4](CH3C6H4SO3)2·2CH3OH}n, the FeIIcation, located on an inversion centre, is coordinated by four water molecules in the equatorial positions and two 1,2-bis(pyridin-4-yl)ethene molecules in the axial positions. This results in a distorted octahedral geometry for the [N2O4] coordination polyhedron. The 1,2-bis(pyridin-4-yl)ethene molecules bridge the FeIIcations, forming polymeric chains running along thea-axis direction. Stabilization of the crystal structure is provided by O—H...O hydrogen bonds; these are formed by coordinated water molecules as donors towards the O atoms of the methanol molecules and tosylate anions as acceptors of protons, leading to the formation of a three-dimensional supramolecular network. Weak C—H...O hydrogen bonds are also observed in the crystal.

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