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)°.

N′-(4-Hydroxy-3-methoxybenzylidene)isonicotinohydrazide monohydrate

2007 ◽  
Vol 63 (3) ◽  
pp. o1119-o1120 ◽  
Author(s):  
Xue-Fang Shi ◽  
Lei He ◽  
Guo-Zhun Ma ◽  
Cui-Cui Yuan
Keyword(s):  
Hydrogen Bonds ◽  
Water Molecule ◽  
Title Compound ◽  
Crystal Packing ◽  
Asymmetric Unit ◽  
Solvent Water Molecule ◽  
Solvent Water ◽  
Compound C

The asymmetric unit of the title compound, C14H13N3O3·H2O, contains one molecule of N′-(4-hydroxy-3-methoxybenzylidene)isonicotinohydrazide and one solvent water molecule. The crystal packing is stabilized by O—H...N and O—H...O hydrogen bonds.

scholarly journals Crystal structure of poly[diaqua(μ2-benzene-1,4-dicarboxylato-κ2O1:O4)(μ2-benzene-1,4-dicarboxylato-κ4O1,O1′:O4,O4′)bis(μ2-3,3′,5,5′-tetramethyl-4,4′-bipyrazole-κ2N:N′)dinickel(II)]

2015 ◽  
Vol 71 (6) ◽  
pp. m127-m128
Author(s):  
Chao Wu ◽  
Peng Cao
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Water Molecule ◽  
Crystal Packing ◽  
Three Dimensional ◽  
The Other ◽  
Water Molecules ◽  
Inversion Symmetry ◽  
Asymmetric Unit ◽  
Dimensional Network

The asymmetric unit of the polymeric title compound, [Ni(C8H4O4)(C10H14N4)(H2O)]n, contains one Ni2+cation, one coordinating water molecule, one 3,3′,5,5′-tetramethyl-4,4′-bipyrazole ligand and half each of two benzene-1,4-dicarboxylate anions, the other halves being generated by inversion symmetry. The Ni2+cation exhibits an octahedral N2O4coordination sphere defined by the O atoms of the water molecule and two different anions and the N atoms of two symmetry-relatedN-heterocycles. TheN-heterocycles and both anions bridge adjacent Ni2+cations into a three-dimensional network structure, with one of the anions in a bis-bidentate and the other in a bis-monodentate bridging mode. N—H...O and O—H...O hydrogen bonds between the N-heterocycles and water molecules as donor groups and the carboxylate O atoms as acceptor groups consolidate the crystal packing.

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 (10R,13R)-17-(6-Hydroxy-5-methylheptan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol hemihydrate: a bioactive steroid isolated from the Indian herbArtemisia reticulata

IUCrData ◽  
2017 ◽  
Vol 2 (8) ◽  
Author(s):  
A. K. Bauri ◽  
Sabine Foro ◽  
Nhu Quynh Nguyen Do
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Hydrogen Bonds ◽  
Water Molecule ◽  
Asymmetric Unit ◽  
Solvent Water Molecule ◽  
Solvent Water ◽  
Compound C ◽  
Steroidal Compound ◽  
Independent Molecules

The title tetracyclic steroidal compound, C27H46O2·0.5H2O, crystallized as a monohydrate with two independent molecules (1and2) in the asymmetric unit. In both molecules, the conformations of the three cyclohexane rings (A,BandC) are chair, half-chair and chair, respectively. The fourth ring,D, has a twisted conformation on the bond linking theDandCrings. The crystal structure is stabilized by hydrogen bonding with the two independent molecules being linked through the solvent water moleculeviavarious O—H...O hydrogen bonds, forming layers parallel to (-101).

scholarly journals Poly[[bis(μ-3-amino-5-carboxybenzoato-κ2N:O1)diaquazinc] dihydrate]

2012 ◽  
Vol 68 (8) ◽  
pp. m1088-m1088
Author(s):  
Kou-Lin Zhang ◽  
Ting-Ting Qiu ◽  
Seik Weng Ng
Keyword(s):  
Hydrogen Bonds ◽  
Water Molecule ◽  
Octahedral Geometry ◽  
Distorted Octahedral Geometry ◽  
Water Molecules ◽  
Polymeric Compound ◽  
Solvent Water Molecule ◽  
Solvent Water ◽  
Distorted Octahedral ◽  
Coordinated Water

The ZnIIatom in the title polymeric compound, {[Zn(C8H6NO4)2(H2O)2]·2H2O}n, lies on a center of inversion and is coordinated by two amine N atoms and two carboxylate O atoms from two 3-amino-5-carboxybenzoate anions along with two water molecules in a distorted octahedral geometry. The bridging nature of the anion generates a layer motif parallel to (100). Hydrogen bonds of the N—H...O and O—H...O types exist in the structure. One H atom of the coordinated water molecule and one H atom of the solvent water molecule are each disordered over two positions in a 1:1 ratio.

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.

scholarly journals Crystal structure of [NaZn(BTC)(H2O)4]·1.5H2O (BTC = benzene-1,3,5-tricarboxylate): a heterometallic coordination compound

2015 ◽  
Vol 71 (7) ◽  
pp. m143-m144 ◽  
Author(s):  
Min Ni ◽  
Quanle Li ◽  
Hao Chen ◽  
Shengqing Li
Keyword(s):  
Crystal Structure ◽  
Ionic Liquid ◽  
Coordination Polymer ◽  
Hydrogen Bonds ◽  
Tricarboxylic Acid ◽  
The Other ◽  
Water Molecules ◽  
Asymmetric Unit ◽  
Solvent Water ◽  
Bridging Ligand

The title coordination polymer, poly[[μ-aqua-triaqua(μ3-benzene-1,3,5-tricarboxylato)sodiumzinc] sesquihydrate], {[NaZn(C9H3O6)(H2O)4]·1.5H2O}n, was obtained in ionic liquid microemulsion at room temperture by the reaction of benzene-1,3,5-tricarboxylic acid (H3BTC) with Zn(NO3)2·6H2O in the presence of NaOH. The asymmetric unit comprises two Na+ions (each located on an inversion centre), one Zn2+ion, one BTC ligand, four coordinating water molecules and two solvent water molecules, one of which is disordered about an inversion centre and shows half-occupation. The Zn2+cation is five-coordinated by two carboxylate O atoms from two different BTC ligands and three coordinating H2O molecules; the Zn—O bond lengths are in the range 1.975 (2)–2.058 (3) Å. The Na+cations are six-coordinated but have different arrangements of the ligands: one is bound to two carboxylate O atoms of two BTC ligands and four O atoms from four coordinating H2O molecules while the other is bound by four carboxylate O atoms from four BTC linkers and two O atoms of coordinating H2O molecules. The completely deprotonated BTC ligand acts as a bridging ligand binding the Zn2+atom and Na+ions, forming a layered structure extending parallel to (100). An intricate network of O—H...O hydrogen bonds is present within and between the layers.

scholarly journals Piperazinium hydrogenarsenate monohydrate

2007 ◽  
Vol 63 (3) ◽  
pp. m905-m907 ◽  
Author(s):  
Hazel S. Wilkinson ◽  
William T. A. Harrison
Keyword(s):  
Hydrogen Bonds ◽  
Water Molecule ◽  
Title Compound ◽  
Water Molecules ◽  
Asymmetric Unit ◽  
Compound C

In the title compound, C4H12N2 2+·HAsO4 2−·H2O, the component species interact by way of N—H...O and O—H...O hydrogen bonds, the latter leading to infinite sheets of HAsO4 2− anions and water molecules containing R 6 6(18) loops. The asymmetric unit contains one anion, one water molecule and half each of two centrosymmetric cations.

scholarly journals 1-(4-Hydroxyphenyl)piperazine-1,4-diium tetrachloridocobalt(II) monohydrate

2014 ◽  
Vol 70 (2) ◽  
pp. m75-m75 ◽  
Author(s):  
Marwa Mghandef ◽  
Habib Boughzala
Keyword(s):  
Hydrogen Bonds ◽  
Water Molecule ◽  
Three Dimensional ◽  
Organic Cations ◽  
Water Molecules ◽  
Asymmetric Unit ◽  
Hybrid Compound ◽  
Organic Hybrid ◽  
Compound C ◽  
Dimensional Network

The asymmetric unit of the title inorganic–organic hybrid compound, (C10H16N2O)[CoCl4]·H2O, consists of a tetrahedral [CoCl4]2−anion, together with a [C10H18N2O]2+cation and a water molecule. Crystal cohesion is achieved through N—H...Cl, O—H...Cl and N—H...O hydrogen bonds between organic cations, inorganic anions and the water molecules, building up a three-dimensional network.

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.

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