1,4-Bis{[hydroxy(phenyl)phosphoryl]methyl}piperazine-1,4-diium tetrachloridocadmate(II) dihydrate and the cobaltate(II) analogue

2013 ◽  
Vol 69 (7) ◽  
pp. 738-741 ◽  
Author(s):  
Chao-Jun Du ◽  
Li-Sheng Wang
Keyword(s):  
Hydrochloric Acid ◽  
Hydrogen Bonds ◽  
Water Molecules ◽  
Two Dimensional ◽  
Asymmetric Unit ◽  
Solvent Water

The reaction of aminophosphinic acid with CdCl2·2.5H2O or CoCl2·6H2O in concentrated hydrochloric acid yielded the isostructural compounds 1,4-bis{[hydroxy(phenyl)phosphoryl]methyl}piperazine-1,4-diium tetrachloridocadmate(II) dihydrate, (C18H26N2O4P2)[CdCl4]·2H2O, (I), and 1,4-bis{[hydroxy(phenyl)phosphoryl]methyl}piperazine-1,4-diium tetrachloridocobaltate(II) dihydrate, (C18H26N2O4P2)[CoCl4]·2H2O, (II). The asymmetric unit of each contains two half dications, both located on crystallographic centres of inversion, a tetrachloridometallate(II) dianion and two solvent water molecules. The residues are linked into two-dimensional layers in theabplane by O—H...O hydrogen bonds.

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 structures of 2-methylpyridinium hydrogen 2,3-bis(4-methylbenzoyloxy)succinate and bis-[4-methylpyridinium hydrogen 2,3-bis(4-methylbenzoyloxy)succinate] pentahydrate

2017 ◽  
Vol 73 (10) ◽  
pp. 1483-1487
Author(s):  
P. Sivakumar ◽  
S. Israel ◽  
G. Chakkaravarthi
Keyword(s):  
Hydrogen Bonds ◽  
Pyridine Ring ◽  
Crystal Packing ◽  
Water Molecules ◽  
Two Dimensional ◽  
Asymmetric Unit ◽  
Aromatic Rings ◽  
Π Interactions ◽  
Dimensional Network ◽  
Anions And Cations

The title salt (I), C6H8N+·C20H17O8−, comprises a 2-methylpyridinium cation and a 2,3-bis(4-methylbenzoyloxy)succinate mono-anion while the salt (II), 2C6H8N+·2C20H17O8−·5H2O, consists of a pair of 4-methylpyridinium cations and 2,3-bis(4-methylbenzoyloxy)succinate mono-anions and five water molecules of solvation in the asymmetric unit. In (I), the dihedral angle between the aromatic rings of the anion is 40.41 (15)°, comparing with 43.0 (3) and 85.7 (2)° in the conformationally dissimilar anion molecules in (II). The pyridine ring of the cation in (I) is inclined at 23.64 (16) and 42.69 (17)° to the two benzene moieties of the anion. In (II), these comparative values are 4.7 (3), 43.5 (3)° and 43.5 (3), 73.1 (3)° for the two associated cation and anion pairs. The crystal packing of (I) is stabilized by inter-ionic N—H...O, O—H...O and C—H...O hydrogen bonds as well as weak C—H...π interactions, linking the ions into infinite chains along [100]. In the crystal packing of (II), the anions and cations are also linked by N—H...O and O—H...O hydrogen bonds involving also the water molecules, giving a two-dimensional network across (001). The crystal structure is also stabilized by weak C—H...O and C—H...π interactions.

Binary salt of a palladium(II) complex with (phosphonomethyl)phosphonic (medronic) acid comprising `handbell-like' [Pd{μ-CH2(PO3)2}]3units

2012 ◽  
Vol 68 (9) ◽  
pp. m242-m245 ◽  
Author(s):  
Artem A. Babaryk ◽  
Alexandra N. Kozachkova ◽  
Natalia V. Tsaryk ◽  
Anatolij V. Dudko ◽  
Vasily I. Pekhnyo
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Three Dimensional ◽  
Water Molecules ◽  
Dense Network ◽  
Asymmetric Unit ◽  
Neutral Complex ◽  
Solvent Water ◽  
Network Of Hydrogen Bonds ◽  
Successive Alternation

The asymmetric unit of the title compound, dipotassium bis[hexaaquanickel(II)] tris(μ2-methylenediphosphonato)tripalladium(II) hexahydrate, K2[Ni(H2O)6]2[Pd3{CH2(PO3)2}3]·6H2O, consists of half a {[Pd{CH2(PO3)2}]3}6−anion [one Pd atom (4e) and a methylene C atom (4e) occupy positions on a twofold axis] in a rare `handbell-like' arrangement, with K+and [Ni(H2O)6]2+cations to form the neutral complex, completed by three solvent water molecules. The {[Pd{CH2(PO3)2}]3}6−units exhibit close Pd...Pd separations of 3.0469 (4) Å and are packedviaintermolecular C—H...Pd hydrogen bonds. The [KO9] and [NiO6] units are assembled into sheets coplanar with (011) and stacked along the [100] direction. Within these sheets there are [K4Ni4O8] and [K2Ni2O4] loops. Successive alternation of the sheets and [Pd{CH2(PO3)2}]3units parallel to [001] produces the three-dimensional packing, which is also supported by a dense network of hydrogen bonds involving the solvent water molecules.

The topotactic dehydration of monoclinic {[Co(pht)(bpy)(H2O)2]·2H2O}ninto orthorhombic [Co(pht)(bpy)(H2O)2]n(pht is phthalate and bpy is 4,4′-bipyridine)

2014 ◽  
Vol 70 (10) ◽  
pp. 978-982 ◽  
Author(s):  
Miguel Angel Harvey ◽  
Sebastián Suarez ◽  
Fabio D. Cukiernik ◽  
Ricardo Baggio
Keyword(s):  
Group Symmetry ◽  
Water Molecules ◽  
Two Dimensional ◽  
Asymmetric Unit ◽  
Orthorhombic System ◽  
Space Group ◽  
Solvent Water ◽  
Statistical Sense ◽  
Similarities And Differences ◽  
Topotactic Transformation

Controlled heating of single crystals of the previously reported [Köferstein & Robl (2007).Z. Anorg. Allg. Chem.633, 1127–1130] dihydrate {[Co(pht)(bpy)(H2O)2]·2H2O}n, (II) [where pht is phthalate (C8H4O4) and bpy is 4,4′-bipyridine (C10H8N2)], produced a topotactic transformation into an unreported diaqua anhydrate, namely poly[diaqua(μ2-benzene-1,2-dicarboxylato-κ2O1:O2)(μ2-4,4′-bipyridine-κ2N:N′)cobalt(II)], [Co(C8H4O4)(C10H8N2)(H2O)2]n, (IIa). The structural change consists of the loss of the two solvent water molecules linking the original two-dimensional covalent substructures which are the `main frame' of the monoclinicP2/nhydrate (strictly preserved during the transformation), with further reaccommodation of the latter. The anhydrate organizes itself in the orthorhombic system (space groupPmn21) in a disordered fashion, where the space-group-symmetry restrictions are achieved only in a statistical sense, with mirror-related two-dimensional planar substructures, mirrored in a plane perpendicular to [100]. Thus, the asymmetric unit in the refined model is composed of two superimposed mirror-related `ghosts' of half-occupancy each. Similarities and differences with the parent dihydrate and some other related structures in the literature are discussed.

Diaquatetrakis(1,3-di-4-pyridylpropane-κN)manganese(II) bis(hexafluoridophosphate) monohydrate

2007 ◽  
Vol 63 (11) ◽  
pp. m2682-m2683 ◽  
Author(s):  
Xianfu Zheng ◽  
Caoyuan Niu ◽  
Xinsheng Wan ◽  
Chunhong Kou
Keyword(s):  
Hydrogen Bonds ◽  
Water Molecule ◽  
Metal Center ◽  
The Other ◽  
Water Molecules ◽  
Asymmetric Unit ◽  
Solvent Water Molecule ◽  
Solvent Water

The title mononuclear MnII complex, [Mn(C13H14N2)4(H2O)2](PF6)2·H2O, is isostructural with the previously reported ZnII complex. The metal center is coordinated by four monodentate 1,3-di-4-pyridylpropane (L1) ligands and two water molecules. One L1 ligand is affected by disorder of two propane C atoms, which are distributed over two positions, with occupancies 0.771 (8)/0.229 (8). The asymmetric unit is completed by one solvent water molecule and two PF6 − anions, both disordered over two positions, with occupancies for F atoms of 0.621 (10)/0.379 (10) for one anion and 0.69 (2)/0.31 (2) for the other. Uncoordinated N atoms of pyridyl groups belonging to L1 and water molecules are involved in hydrogen bonds, with D...A separations ranging from 1.85 (4) to 2.07 (4) Å and D—H...A angles from 169 (3) to 174 (4)°.

scholarly journals Crystal structure ofN,N,N′,N′,N′′,N′′-hexamethylguanidinium cyanate 1.5-hydrate

2015 ◽  
Vol 71 (12) ◽  
pp. o1076-o1077 ◽  
Author(s):  
Ioannis Tiritiris ◽  
Willi Kantlehner
Keyword(s):  
Hydrogen Bonds ◽  
Water Molecules ◽  
Two Dimensional ◽  
Asymmetric Unit ◽  
Orientational Disorder ◽  
Crystal Water ◽  
Charge Delocalization ◽  
Hydrated Salt ◽  
Bond Character ◽  
Anion Exchange Reaction

The title hydrated salt, C7H18N3+·OCN−.1.5H2O, was synthesized starting fromN,N,N′,N′,N′′,N′′-hexamethylguanidinium chloride by a twofold anion-exchange reaction. The asymmetric unit contains two cations, two cyanate anions and three water molecules. One cation shows orientational disorder and two sets of N-atom positions were found related by a 60° rotation, with an occupancy ratio of 0.852 (6):0.148 (6). The C—N bond lengths in both guanidinium ions range from 1.329 (2) to 1.358 (10) Å, indicating double-bond character, pointing towards charge delocalization within the NCN planes. Strong O—H...N hydrogen bonds between the crystal water molecules and the cyanate ions and strong O—H...O hydrogen bonds between the water molecules are present, resulting in a two-dimensional hydrogen bonded network running parallel to the (001) plane. The hexamethylguanidinium ions are packed in between the layers built up by water molecules and cyanate ions.

scholarly journals (μ-2,2′,2′′,2′′′-{[Pyrazine-2,3,5,6-tetrayltetrakis(methylene)]tetrakis(sulfanediyl)}tetraacetato)bis[aquanickel(II)] heptahydrate

IUCrData ◽  
2021 ◽  
Vol 6 (12) ◽  
Author(s):  
Jessica Pacifico ◽  
Helen Stoeckli-Evans
Keyword(s):  
Hydrogen Bonds ◽  
Water Molecule ◽  
Binuclear Complex ◽  
Water Molecules ◽  
Inversion Symmetry ◽  
Binuclear Complexes ◽  
Supramolecular Framework ◽  
Tetraacetic Acid ◽  
Asymmetric Unit ◽  
Solvent Water

Reaction of the ligand 2,2′,2′′,2′′′-{[pyrazine-2,3,5,6-tetrayltetrakis(methylene)]tetrakis(sulfanediyl)}tetraacetic acid (H4L1), with NiCl2 leads to the formation of a binuclear complex, (μ-2,2′,2′′,2′′′-{[pyrazine-2,3,5,6-tetrayltetrakis(methylene)]tetrakis(sulfanediyl)}tetraacetato-κ5 O,S,N 1,S′,O′:κ5 O′′,S′′,N 4,S′′′,O′′′)bis[aquanickel(II)] heptahydrate, {[Ni2(C16H16N2O8S4)(H2O)2]·7H2O} (I). It crystallizes with two half molecules in the asymmetric unit. The complete molecules are generated by inversion symmetry, with the center of the pyrazine rings being located at crystallographic centres of inversion. The ligand coordinates two NiII ions in a bis-pentadentate manner and the sixfold coordination sphere of each nickel(II) atom (NiS2O3N) is completed by a water molecule. The complex crystallized as a hepta-hydrate. The binuclear complexes are linked by Owater—H...Ocarbonyl hydrogen bonds, forming layers parallel to the (101) plane. This layered structure is additionally stabilized by weak C—H...O hydrogen bonds. Further O—H...O hydrogen bonds involving binuclear complexes and solvent water molecules, together with weak C—H...S hydrogen bonds, link the layers to form a supramolecular framework.

scholarly journals An infinite two-dimensional hybrid water–chloride network in a 4′-(furan-2-yl)-2,2′:6′,2′′-terpyridine nickel(II) matrix

2017 ◽  
Vol 73 (6) ◽  
pp. 871-875 ◽  
Author(s):  
Wei-Wei Fu ◽  
Ya-Qian Li ◽  
Yang Liu ◽  
Man-Sheng Chen ◽  
Wei Li ◽  
...  
Keyword(s):  
Hydrogen Bonds ◽  
Chloride Ions ◽  
Water Molecules ◽  
Two Dimensional ◽  
X Ray Diffraction ◽  
Coordination Environment ◽  
X Ray ◽  
Solvent Water ◽  
Distorted Octahedral ◽  
Shaped Pattern

A new complex, namely bis[4′-(furan-2-yl)-2,2′:6′,2′′-terpyridine]nickel(II) dichloride decahydrate, [Ni(C19H13N3O)2]Cl2·10H2O, has been crystallized by solvent evaporation and characterized by single-crystal X-ray diffraction. The coordination environment of the NiIIcation is distorted octahedral with slight deviations from an idealized geometry. The most intriguing structural feature is an infinite two-dimensional hybrid water–chloride network parallel to (011) constructed by O—H...O and O—H...Cl hydrogen bonds involving two independent chloride ions and ten independent solvent water molecules with an L-shaped pattern. One of the furyl rings is disordered with a refined occupancy ratio of 0.786 (13):0.214 (13)

scholarly journals 2-(2,4-Difluorophenyl)-4,5-dimethyl-1-(4-methylphenyl)-1H-imidazole monohydrate

2013 ◽  
Vol 69 (11) ◽  
pp. o1599-o1600 ◽  
Author(s):  
Natesan Srinivasan ◽  
Syed Rafee Ahamed Rizwana Begum ◽  
Ramu Hema ◽  
Balasubramanian Sridhar ◽  
Azhagan Ganapathi Anitha
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Imidazole Ring ◽  
Dihedral Angles ◽  
Water Molecules ◽  
Two Dimensional ◽  
Asymmetric Unit ◽  
Compound C ◽  
Benzene Rings ◽  
Independent Molecules

The asymmetric unit of the title compound, C18H16F2N2·H2O, contains two independent molecules (AandB), and two independent water molecules of crystallization. In moleculeA, the imidazole ring makes dihedral angles of 47.46 (7) and 60.98 (6)° with the 2,4-difluorophenyl and methylphenyl rings, respectively. The corresponding angles in moleculeBare 45.85 (7) and 62.78 (7)°, respectively. The dihedral angle between the two benzene rings is 64.98 (7)° in moleculeAand 65.53 (7)° in moleculeB. In the crystal, the two independent molecules are linked by O—H...N and O—H...O hydrogen bonds, forming chains propagating along [100]. These chains are linkedviaC—H...F hydrogen bonds, forming slab-like two-dimensional networks lying parallel to (001).

scholarly journals (E)-2-[4-(Diethylamino)styryl]-1-methylquinolin-1-ium 4-chlorobenzenesulfonate monohydrate

2014 ◽  
Vol 70 (4) ◽  
pp. o395-o396
Author(s):  
Suchada Chantrapromma ◽  
Narissara Kaewmanee ◽  
Nawong Boonnak ◽  
Ching Kheng Quah ◽  
Hoong-Kun Fun
Keyword(s):  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Ring System ◽  
The Other ◽  
Water Molecules ◽  
Sulfonate Group ◽  
Asymmetric Unit ◽  
Solvent Water ◽  
Hydrated Salt ◽  
The Mean

The asymmetric unit of the title hydrated salt, C22H25N2+·C6H4ClO3S−·H2O, comprises two 2-[4-(diethylamino)styryl]-1-methylquinolin-1-ium cations, two 4-chlorobenzenesulfonate anions and two solvent water molecules. One ethyl group of both cations displays disorder over two positions in a 0.659 (2):0.341 (2) ratio in one molecule and in a 0.501 (2):0.499 (2) ratio in the other. The sulfonate group of one anion is also disordered over two positions in a 0.893 (7):0.107 (7) ratio. The dihedral angle between the mean plane of the quinolinium ring system and that of benzene ring is 10.57 (18)° in one cation and 14.4 (2)° in the other. In the crystal, cations, anions and water molecules are linked into chains along the [010] direction by O—H...Osulfonatehydrogen bonds, together with weak C—H...Osulfonateand C—H...Cl interactions. The cations are stacked by π–π interactions, with centroid–centroid distances in the range 3.675 (2)–4.162 (3) Å.

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