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 Crystal structure of poly[diaquabis(μ5-benzene-1,3-dicarboxylato)(N,N-dimethylformamide)cadmium(II)disodium(I)]

2017 ◽  
Vol 73 (11) ◽  
pp. 1599-1602 ◽  
Author(s):  
Matimon Sangsawang ◽  
Kittipong Chainok ◽  
Nanthawat Wannarit
Keyword(s):  
Crystal Structure ◽  
Coordination Polymer ◽  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Water Molecules ◽  
Asymmetric Unit ◽  
Carboxylate Groups ◽  
Benzene Rings ◽  
Coordinated Water ◽  
Coordinate Geometry

The title compound, [CdNa2(C8H4O4)2(C3H7NO)(H2O)2]nor [CdNa2(1,3-bdc)2(DMF)(H2O)2]n, is a new CdII–NaIheterobimetallic coordination polymer. The asymmetric unit consists of one CdIIatom, two NaIatoms, two 1,3-bdc ligands, two coordinated water molecules and one coordinated DMF molecule. The CdIIatom exhibits a seven-coordinate geometry, while the NaIatoms can be considered to be pentacoordinate. The metal ions and their symmetry-related equivalents are connectedviachelating–bridging carboxylate groups of the 1,3-bdc ligands to generate a three-dimensional framework. In the crystal, there are classical O—H...O hydrogen bonds involving the coordinated water molecules and the 1,3-bdc carboxylate groups and π–π stacking between the benzene rings of the 1,3-bdc ligands present within the frameworks.

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 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 (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 Poly[[pentaaqua(μ4-pyridine-2,4,6-tricarboxylato)(μ3-pyridine-2,4,6-tricarboxylato)diterbium(III)] monohydrate]

2012 ◽  
Vol 68 (8) ◽  
pp. m1133-m1134 ◽  
Author(s):  
Xiao-Ke Yu ◽  
Hong-Lin Zhu
Keyword(s):  
Crystal Structure ◽  
Rare Earth ◽  
Coordination Polymer ◽  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Tricarboxylic Acid ◽  
The Other ◽  
Coordination Modes ◽  
Trigonal Prismatic

The three-dimensional title coordination polymer, {[Tb2(C8H2NO6)2(H2O)5]·H2O}n, was hydrothermally synthesized by reacting the corresponding rare-earth salt with pyridine-2,4,6-tricarboxylic acid (H3ptc). There are two independent TbIIIatoms in the structure, one of which is nine-coordinated, forming a monocapped NO8square-antiprism and the other is eight-coordinated exhibiting a 4,4-bicapped NO7trigonal–prismatic environment. The complex units are interconnected through the ptc3−anions acting in different coordination modes, resulting in a three-dimensional coordination polymer. The crystal structure features extensive O—H...O hydrogen bonds.

scholarly journals catena-Poly[[bis(μ3-5-hydroxyisophthalato)bis(pyrazino[2,3-f][1,10]phenanthroline)dicadmium] dihydrate]

2012 ◽  
Vol 68 (4) ◽  
pp. m477-m478 ◽  
Author(s):  
Peng-Cheng Zhao
Keyword(s):  
Coordination Polymer ◽  
Hydrogen Bonds ◽  
Layered Structure ◽  
Crystal Packing ◽  
Water Molecules ◽  
Asymmetric Unit ◽  
Coordination Environment ◽  
Solvent Water ◽  
Lattice Water ◽  
Hydroxy Groups

The title coordination polymer, {[Cd2(C8H4O5)2(C14H8N4)2]·2H2O}n, has a layered structure. The asymmetric unit contains two CdIIions, two pyrazino[2,3-f][1,10]phenanthroline, two 5-hydroxyisophthalate (hip) ligands and two lattice water molecules. Each CdIIion is coordinated by two N atoms from a chelating pyrazino[2,3-f][1,10]phenanthroline and four O atoms from three different hip ligands, resulting in a distorted CdN2O4octahedral coordination environment. The hip ligand connects adjacent CdIIions, forming forming layers parallel to (010). Intralayer O—H...O hydrogen bonds involving the hydroxy groups and solvent water molecules consolidate the crystal packing.

scholarly journals Crystal structure of bis(bis{(E)-[(6-{(E)-[(4-fluorobenzyl)imino]methyl}pyridin-2-yl)methylidene](4-fluorophenyl)amine}nickel(II)) tetrabromide nonahydrate

2015 ◽  
Vol 71 (12) ◽  
pp. m226-m227 ◽  
Author(s):  
Ismet Basaran ◽  
Md Mhahabubur Rhaman ◽  
Douglas R. Powell ◽  
Md. Alamgir Hossain
Keyword(s):  
Crystal Structure ◽  
Structural Features ◽  
Title Complex ◽  
The Other ◽  
Water Molecules ◽  
Asymmetric Unit ◽  
Central Ring ◽  
Bond Lengths ◽  
Solvent Water ◽  
Octahedral Environment

In the title complex, [Ni(C21H17F2N3)2]2Br4·9H2O, there are two independent metal complexes per asymmetric unit and two ligands per metal complex. The structural features (bond lengths and angles) of the two complexes are almost identical. In each complex, the nickel(II) ion is coordinated in an octahedral environment by six N atoms from two chelating (9E)-N-({6-[(E)-(4-fluorobenzylimino)methyl]pyridin-2-yl}methylene)(4-fluorophenyl)methanammine ligands. The Ni—N bond lengths range from 1.973 (2) to 2.169 (2) Å, while the chelate N—Ni—N angles range from 77.01 (10) to 105.89 (9)°. Additionally, there are four bromide anions and nine solvent water molecules within the asymmetric unit. The water molecules form a hydrogen-bonded network, displaying C—H...O, C—H...Br, O—H...Br, O—H...O and O—H...F interactions into layers parallel to (111). In each unit, the fluorophenyl rings of one ligand are stacked with the central ring of the other ligandviaπ–π interactions, with the closest centroid-to-plane distances being 3.445 (5), 3.636 (5), 3.397 (5) and 3.396 (5) Å.

The effect of partial methylation of the glycine amino group on crystal structure inN,N-dimethylglycine and its hemihydrate

2012 ◽  
Vol 68 (8) ◽  
pp. o283-o287 ◽  
Author(s):  
Vasily S. Minkov ◽  
Elena V. Boldyreva
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Water Molecules ◽  
Amino Group ◽  
Asymmetric Unit ◽  
Partial Methylation ◽  
Space Groups ◽  
Carboxylate Groups ◽  
Anhydrous Compound ◽  
Additional Hydrogen

N,N-Dimethylglycine, C4H9NO2, and its hemihydrate, C4H9NO2·0.5H2O, are discussed in order to follow the effect of the methylation of the glycine amino group (and thus its ability to form several hydrogen bonds) on crystal structure, in particular on the possibility of the formation of hydrogen-bonded `head-to-tail' chains, which are typical for the crystal structures of amino acids and essential for considering amino acid crystals as mimics of peptide chains. Both compounds crystallize in centrosymmetric space groups (PbcaandC2/c, respectively) and have twoN,N-dimethylglycine zwitterions in the asymmetric unit. In the anhydrous compound, there are no head-to-tail chains but the zwitterions formR44(20) ring motifs, which are not bonded to each other by any hydrogen bonds. In contrast, in the crystal structure ofN,N-dimethylglycinium hemihydrate, the zwitterions are linked to each other by N—H...O hydrogen bonds into infiniteC22(10) head-to-tail chains, while the water molecules outside the chains provide additional hydrogen bonds to the carboxylate groups.

scholarly journals Crystal structure of the co-crystalline adduct 1,3,6,8-tetraazatricyclo[4.4.1.13,8]dodecane (TATD)–4-bromophenol (1/2)

2015 ◽  
Vol 71 (5) ◽  
pp. 463-465 ◽  
Author(s):  
Augusto Rivera ◽  
Juan Manuel Uribe ◽  
Jicli José Rojas ◽  
Jaime Ríos-Motta ◽  
Michael Bolte
Keyword(s):  
Crystal Structure ◽  
Solid State ◽  
Hydrogen Bonds ◽  
Rotation Axis ◽  
The Other ◽  
Two Dimensional ◽  
Asymmetric Unit ◽  
Species Association ◽  
Crystalline Adduct ◽  
Aminal Cage

The structure of the 1:2 co-crystalline adduct C8H16N4·2C6H5BrO, (I), from the solid-state reaction of 1,3,6,8-tetraazatricyclo[4.4.1.13,8]dodecane (TATD) and 4-bromophenol, has been determined. The asymmetric unit of the title co-crystalline adduct comprises a half molecule of aminal cage polyamine plus a 4-bromophenol molecule. A twofold rotation axis generates the other half of the adduct. The primary inter-species association in the title compound is through two intermolecular O—H...N hydrogen bonds. In the crystal, the adducts are linked by weak non-conventional C—H...O and C—H...Br hydrogen bonds, giving a two-dimensional supramolecular structure parallel to thebcplane.

Quinidine sesquihydrate

2007 ◽  
Vol 63 (3) ◽  
pp. o1483-o1484
Author(s):  
Min-Jie Guo ◽  
Shu-Juan Zhang ◽  
Dong-Lan Sun ◽  
Zhi Fan
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Water Molecules ◽  
Asymmetric Unit ◽  
Compound C

In the asymmetric unit of the title compound, C20H24N2O2·1.5H2O, there are two independent quinidine [systematic name: (1S,3R,4S,8R,9S)-4-[hydroxy(5-vinyl-1-azabicyclo[2.2.2]oct-2-yl)methyl]-6-methoxyquinoline] molecules and three water molecules. Intermolecular O—H...O and O—H...N hydrogen bonds stabilize the crystal structure.

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