scholarly journals Dichloridodimethylbis(thiourea-κS)tin(IV)

2014 ◽  
Vol 70 (3) ◽  
pp. m83-m83 ◽  
Author(s):  
Yaya Sow ◽  
Libasse Diop ◽  
Manuel A. Fernandes ◽  
Helen Stoeckli-Evans
Keyword(s):  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Dimensional Structure ◽  
Methyl Groups ◽  
Inversion Symmetry ◽  
Asymmetric Unit ◽  
Distorted Octahedral Coordination ◽  
Metal Atoms ◽  
Distorted Octahedral ◽  
Cl Atoms

The title compound, [Sn(CH3)2Cl2(CH4N2S)2], crystallizes with two half-molecules in the asymmetric unit. Both molecules are completed by inversion symmetry with the two SnIVatoms located on inversion centers. The metal atoms have distorted octahedral coordination environments defined by two Cl atoms, two C atoms of methyl groups and two thiourea S atoms. In the crystal, molecules are linkedviaN—H...Cl and N—H...S hydrogen bonds, forming a three-dimensional structure.

scholarly journals Crystal structure of bis[trans-dichloridobis(propane-1,3-diamine-κ2N,N′)chromium(III)] dichromate from synchrotron data

2016 ◽  
Vol 72 (9) ◽  
pp. 1293-1296 ◽  
Author(s):  
Dohyun Moon ◽  
Keon Sang Ryoo ◽  
Jong-Ha Choi
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Complex Cation ◽  
Chair Conformation ◽  
Asymmetric Unit ◽  
Intermolecular Hydrogen Bonds ◽  
Distorted Octahedral Coordination ◽  
Distorted Octahedral ◽  
The Mean ◽  
Cl Atoms

The structure of the title compound, [CrCl2(tn)2]2[Cr2O7] (tn = propane-1,3-diamine; C3H10N2), has been determined from synchrotron data. The asymmetric unit contains one CrIIIcomplex cation and half a [Cr2O7]2−anion. In the complex cation, the CrIIIion is coordinated by the four N atoms of two propane-1,3-diamine (tn) ligands in the equatorial plane and by two Cl atoms in atransconfiguration, displaying a distorted octahedral coordination sphere. The two six-membered rings in the complex cation have anantichair–chair conformation with respect to each other. The mean Cr—N(tn) and Cr—Cl bond lengths are 2.09 (1) and 2.320 (2) Å, respectively. The slightly bent dichromate anion is disordered over two sets of sites (occupancy ratio = 0.7:0.3) and has a staggered conformation. The crystal structure is stabilized by intermolecular hydrogen bonds involving the NH2groups of the tn ligands as donors and the O atoms of the [Cr2O7]2−anion and chlorido ligands as acceptors.

A trimethylsulfonium salt with a novel polymeric cadmate anion

2013 ◽  
Vol 69 (10) ◽  
pp. 1128-1131 ◽  
Author(s):  
Ming-Liang Liu
Keyword(s):  
Hydrogen Bonds ◽  
Coordination Mode ◽  
Three Dimensional ◽  
Dimensional Structure ◽  
Zigzag Chain ◽  
Two Dimensional ◽  
One Dimensional ◽  
Octahedral Environment ◽  
Distorted Octahedral ◽  
Cl Atoms

The title salt,catena-poly[trimethylsulfonium [μ2-chlorido-di-μ2-thiocyanato-cadmate(II)]] {(C3H9S)[CdCl(NCS)2]}n, consists of trimethylsulfonium cations sandwiched between layers of a two-dimensional polyanion. The CdIIcentre displays a distorted octahedral environment coordinated by two bridging Cl atoms, two thiocyanate N atoms and two thiocyanate S atoms. The thiocyanate groups adopt the μ-1,3-coordination mode and bridge the CdIIcentres into a one-dimensional zigzag chain extended along the [110] direction. The CdIIcentres of the zigzag chains are crosslinked by bridging Cl atoms, forming a two-dimensional polyanion. The two-dimensional anions are linked to layers of trimethylsulfonium cations by weak intermolecular C—H...Cl hydrogen bonds, forming the three-dimensional structure.

scholarly journals Supramolecular architecture in a co-crystal of the N(7)—H tautomeric form ofN6-benzoyladenine with adipic acid (1/0.5)

2016 ◽  
Vol 72 (6) ◽  
pp. 805-808 ◽  
Author(s):  
Robert Swinton Darious ◽  
Packianathan Thomas Muthiah ◽  
Franc Perdih
Keyword(s):  
Hydrogen Bonds ◽  
Adipic Acid ◽  
Phenyl Ring ◽  
Tautomeric Form ◽  
Three Dimensional ◽  
Dimensional Structure ◽  
Inversion Symmetry ◽  
Asymmetric Unit ◽  
Purine Ring ◽  
Ring Motif

The asymmetric unit of the title co-crystal, C12H9N5O·0.5C6H10O4, consists of one molecule ofN6-benzoyladenine (BA) and one half-molecule of adipic acid (AA), the other half being generated by inversion symmetry. The dihedral angle between the adenine and phenyl ring planes is 26.71 (7)°. TheN6-benzoyladenine molecule crystallizes in the N(7)—H tautomeric form with three non-protonated N atoms. This tautomeric form is stabilized by intramolecular N—H...O hydrogen bonding between the carbonyl (C=O) group and the N(7)—H hydrogen atom on the Hoogsteen face of the purine ring, forming anS(7) ring motif. The two carboxyl groups of adipic acid interact with the Watson–Crick face of the BA molecules through O—H...N and N—H...O hydrogen bonds, generating anR22(8) ring motif. The latter units are linked by N—H...N hydrogen bonds, forming layers parallel to (10-5). A weak C—H...O hydrogen bond is also present, linking adipic acid molecules in neighbouring layers, enclosingR22(10) ring motifs and forming a three-dimensional structure. C=O...π and C—H...π interactions are also present in the structure.

Diaquabis(pyridine-2,3-dicarboxylato)copper(II)

2006 ◽  
Vol 62 (5) ◽  
pp. m1122-m1123 ◽  
Author(s):  
Jiang-Feng Xiang ◽  
Ming Li ◽  
Si-Min Wu ◽  
Liang-Jie Yuan ◽  
Ju-Tang Sun
Keyword(s):  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Dimensional Structure ◽  
Water Molecules ◽  
Coordination Environment ◽  
Distorted Octahedral Coordination ◽  
Distorted Octahedral ◽  
Common Plane ◽  
Mild Temperature ◽  
Distorted Octahedral Coordination Environment

The centrosymmetric title copper(II) complex, [Cu(C7H4NO4)2(H2O)2], was synthesized via the hydrothermal method at a mild temperature (353 K). The CuII ion has a distorted octahedral coordination environment, with two N and two O atoms from the pyridine-2,3-dicarboxylate ligands in a common plane and with two water molecules in axial positions. Hydrogen bonds play an important role in the formation of the three-dimensional structure.

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

2015 ◽  
Vol 71 (2) ◽  
pp. 203-205 ◽  
Author(s):  
Jong Won Shin ◽  
Dae-Woong Kim ◽  
Jin Hong Kim ◽  
Dohyun Moon
Keyword(s):  
Molecular Structure ◽  
Hydrogen Bonds ◽  
The Other ◽  
Inversion Symmetry ◽  
Asymmetric Unit ◽  
Distorted Octahedral Coordination ◽  
Centroid Distance ◽  
Distorted Octahedral ◽  
Ft Ir ◽  
Ft Ir Spectroscopy

The title compound, [Cu(C6H4NO2)2(C16H38N6)] has been synthesized and characterized by structure analysis based on synchrotron data and by FT–IR spectroscopy. The asymmetric unit consists of half of the CuIIcomplex, the other half being completed by inversion symmetry. The CuIIion has a tetragonally distorted octahedral coordination sphere with four secondary N atoms of the azamacrocyclic ligand in the equatorial plane [Cu—Neq= 2.018 (12) Å] and two O atoms of the isonicotinate anions at the axial positions [Cu—Oax= 2.4100 (11) Å]. Intramolecular N—H...O hydrogen bonds between one of the secondary amine N—H groups of the azamacrocyclic ligand and the non-coordinating O atom of the isonicotinate ions stabilize the molecular structure. Intermolecular N—H...N hydrogen bonds between the other macrocyclic N—H group and the pyridine N atom of an adjacent isonicotinate anion as well as π–π interactions [centroid-to-centroid distance 3.711 (2) Å] lead to the formation of rods parallel to [001].

scholarly journals cis,trans-Dicarbonyldichlorido(1,10-phenanthroline-5,6-dione-κ2N,N′)ruthenium(II)

IUCrData ◽  
2017 ◽  
Vol 2 (2) ◽  
Author(s):  
Tsugiko Takase ◽  
Kasumi Takahashi ◽  
Dai Oyama
Keyword(s):  
Hydrogen Bonds ◽  
Coordination Sphere ◽  
Title Compound ◽  
Three Dimensional ◽  
Supramolecular Network ◽  
Site Symmetry ◽  
Carbonyl Ligands ◽  
Distorted Octahedral Coordination ◽  
Distorted Octahedral ◽  
Cl Atoms

In the title compound, [RuCl2(C12H6N2O2)(CO)2], the RuIIatom (site symmetry ..2) adopts a distorted octahedral coordination sphere defined by two carbonyl C atoms, two Cl−anions and two N atoms from the chelating 1,10-phenanthroline-5,6-dione (phendione) ligand. The carbonyl ligands arecisto each other, while the Cl atoms aretrans. In the phendione ligand, the C=O [1.239 (5) Å] and the C—C [1.537 (5) Å] bond lengths in the diketone moiety have typical values. In the crystal, C—H...Cl and C—H...O hydrogen bonds lead to the formation of a three-dimensional supramolecular network.

scholarly journals Crystal structure of poly[bis(μ-nicotinamide-κ2N1:O)bis(μ-4-nitrobenzoato-κ2O1:O1′)zinc]

2015 ◽  
Vol 71 (5) ◽  
pp. 479-482 ◽  
Author(s):  
Gülçin Şefiye Aşkın ◽  
Hacali Necefoğlu ◽  
Ali Murat Tonbul ◽  
Nefise Dilek ◽  
Tuncer Hökelek
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Three Dimensional ◽  
Asymmetric Unit ◽  
Distorted Octahedral Coordination ◽  
Carboxylate Groups ◽  
Dimensional Network ◽  
Distorted Octahedral ◽  
Polymeric Chains ◽  
Benzene Rings

The asymmetric unit of the title coordination polymer, [Zn(C7H4NO4)2(C6H6N2O)2]n, contains two 4-nitrobenzoate (NB) anions and two nicotinamide (NA) ligands. The ZnIIatom has a slightly distorted octahedral coordination sphere. In the equatorial plane, it is coordinated by three carboxylate O atoms of the NB anions and one O atom of one of the two NA ligands. The axial positions are occupied by the pyridine N atoms of the two NA ligands. In the two NB anions, the carboxylate groups are twisted away from the attached benzene rings by 13.8 (2) and 13.4 (2)°, while the benzene rings are oriented at a dihedral angle of 11.5 (2)°. The dihedral angle between the NA rings is 10.3 (1)°. Only one of the two NB anions and one of the two NA ligands bridge adjacent ZnIIions through eight- and twelve-membered rings, respectively, forming polymeric chains running along thea-axis direction. In the crystal, N—H ... O hydrogen bonds link adjacent chains, enclosingR(16),R22(20) andR66(16) ring motifs, forming layers parallel to (01-1). The layers are linkedviaa number of C—H...O hydrogen bonds, forming a three-dimensional network.

scholarly journals Crystal structures of {[Cu(Lpn)2][Fe(CN)5(NO)]·H2O}nand {[Cu(Lpn)2]3[Cr(CN)6]2·5H2O}n[where Lpn = (R)-propane-1,2-diamine]: two heterometallic chiral cyanide-bridged coordination polymers

2015 ◽  
Vol 71 (4) ◽  
pp. 392-397
Author(s):  
Olha Sereda ◽  
Helen Stoeckli-Evans
Keyword(s):  
Hydrogen Bonds ◽  
Coordination Polymers ◽  
Three Dimensional ◽  
Water Molecules ◽  
Two Dimensional ◽  
Asymmetric Unit ◽  
Compound I ◽  
Distorted Octahedral ◽  
Coordination Spheres ◽  
Compound Ii

The title compounds,catena-poly[[[bis[(R)-propane-1,2-diamine-κ2N,N′]copper(II)]-μ-cyanido-κ2N:C-[tris(cyanido-κC)(nitroso-κN)iron(III)]-μ-cyanido-κ2C:N] monohydrate], {[Cu(Lpn)2][Fe(CN)5(NO)]·H2O}n, (I), and poly[[hexa-μ-cyanido-κ12C:N-hexacyanido-κ6C-hexakis[(R)-propane-1,2-diamine-κ2N,N′]dichromium(III)tricopper(II)] pentahydrate], {[Cu(Lpn)2]3[Cr(CN)6]2·5H2O}n, (II) [where Lpn = (R)-propane-1,2-diamine, C3H10N2], are new chiral cyanide-bridged bimetallic coordination polymers. The asymmetric unit of compound (I) is composed of two independent cation–anion units of {[Cu(Lpn)2][Fe(CN)5)(NO)]} and two water molecules. The FeIIIatoms have distorted octahedral geometries, while the CuIIatoms can be considered to be pentacoordinate. In the crystal, however, the units align to form zigzag cyanide-bridged chains propagating along [101]. Hence, the CuIIatoms have distorted octahedral coordination spheres with extremely long semicoordination Cu—N(cyanido) bridging bonds. The chains are linked by O—H...N and N—H...N hydrogen bonds, forming two-dimensional networks parallel to (010), and the networks are linkedviaN—H...O and N—H...N hydrogen bonds, forming a three-dimensional framework. Compound (II) is a two-dimensional cyanide-bridged coordination polymer. The asymmetric unit is composed of two chiral {[Cu(Lpn)2][Cr(CN)6]}−anions bridged by a chiral [Cu(Lpn)2]2+cation and five water molecules of crystallization. Both the CrIIIatoms and the central CuIIatom have distorted octahedral geometries. The coordination spheres of the outer CuIIatoms of the asymmetric unit can be considered to be pentacoordinate. In the crystal, these units are bridged by long semicoordination Cu—N(cyanide) bridging bonds forming a two-dimensional network, hence these CuIIatoms now have distorted octahedral geometries. The networks, which lie parallel to (10-1), are linkedviaO—H...O, O—H...N, N—H...O and N—H...N hydrogen bonds involving all five non-coordinating water molecules, the cyanide N atoms and the NH2groups of the Lpn ligands, forming a three-dimensional framework.

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.

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.

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