scholarly journals Crystal structure of tetraaquabis(pyrimidin-1-ium-4,6-diolato-κO4)manganese(II)

2017 ◽  
Vol 73 (4) ◽  
pp. 620-622
Author(s):  
Khaled A. Shennara ◽  
Ray J. Butcher ◽  
Frederick T. Greenaway
Keyword(s):  
Hydrogen Bonds ◽  
Aqua Ligand ◽  
Water Molecules ◽  
Inversion Center ◽  
Intermolecular Hydrogen Bonds ◽  
Distorted Octahedral Coordination ◽  
Distorted Octahedral ◽  
Ring Atom ◽  
Adjacent Molecule ◽  
Intramolecular Hydrogen

The MnIIion in the structure of the mononuclear title compound, [Mn(C4H3N2O2)2(H2O)4], is situated on an inversion center and is coordinated by two O atoms from two deprotonated 4,6-dihydroxypyrimidine ligands and by four O atoms from water molecules giving rise to a slightly distorted octahedral coordination sphere. The complex includes an intramolecular hydrogen bond between an aqua ligand and the non-protonated N ring atom. The extended structure is stabilized by intermolecular hydrogen bonds between aqua ligands, by hydrogen bonds between N and O atoms of the ligands of adjacent molecules, and by hydrogen bonds between aqua ligands and the non-coordinating O atom of an adjacent molecule.

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 (2-amino-7-methyl-4-oxidopteridine-6-carboxylato-κ3O4,N5,O6)aqua(1,10-phenanthroline-κ2N,N′)zinc trihydrate

2015 ◽  
Vol 71 (9) ◽  
pp. m162-m163
Author(s):  
Siddhartha S. Baisya ◽  
Baidyanath Ghosh ◽  
Parag S. Roy
Keyword(s):  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Carboxylate Ligand ◽  
Water Molecules ◽  
Coordination Geometry ◽  
Complex Molecules ◽  
Distorted Octahedral Coordination ◽  
Dimensional Network ◽  
Distorted Octahedral Coordination Geometry ◽  
Distorted Octahedral

In the title compound, [Zn(C8H5N5O3)(C12H8N2)(H2O)]·3H2O, a tridentate 2-amino-7-methyl-4-oxidopteridine-6-carboxylate ligand, a bidentate ancillary 1,10-phenanthroline (phen) ligand and a water molecule complete a distorted octahedral coordination geometry around the ZnIIatom. The pterin ligand forms two chelate rings. The phen and pterin ring systems are nearly perpendicular [dihedral angle = 85.16 (5)°]. Classical N—H...O, O—H...N and O—H...O hydrogen bonds and weak C—H...O hydrogen bonds link the complex molecules and lattice water molecules into a three-dimensional network. π–π stacking contacts are observed as well, with centroid-to-centroid distances of 3.5679 (14), 3.7004 (14), 3.6641 (15), 3.6974 (13) and 3.3412 (12) Å.

scholarly journals Crystal structure of tetraaquabis(1,3-dimethyl-2,6-dioxo-7H-purin-7-ido-κN7)cobalt(II)

2017 ◽  
Vol 73 (9) ◽  
pp. 1302-1304 ◽  
Author(s):  
Hicham El Hamdani ◽  
Mohammed El Amane ◽  
Carine Duhayon
Keyword(s):  
Crystal Structure ◽  
Three Dimensional ◽  
Title Complex ◽  
Water Molecules ◽  
Supramolecular Network ◽  
Coordination Environment ◽  
Distorted Octahedral Coordination ◽  
Distorted Octahedral ◽  
Intramolecular Hydrogen ◽  
Distorted Octahedral Coordination Environment

The title complex, [Co(C7H7N4O2)2(H2O)4], comprises mononuclear molecules consisting of a CoIIion, two deprotonated theophylline ligands (systematic name: 1,3-dimethyl-7H-purine-2,6-dione) and four coordinating water molecules. The CoIIatom lies on an inversion centre and has a slightly distorted octahedral coordination environment, with two N atoms of twotrans-oriented theophylline ligands and the O atoms of four water molecules. An intramolecular hydrogen bond stabilizes this conformation. A three-dimensional supramolecular network structure is formed by intermolecular O—H...O and O—H...N hydrogen bonds.

scholarly journals Bis(2,2′,2′′-nitrilotriacetamide-κ3O,N,O′)nickel(II) dinitrate tetrahydrate

2013 ◽  
Vol 69 (2) ◽  
pp. m89-m89 ◽  
Author(s):  
Xiao-Hui Deng ◽  
Qi-Jun Nie ◽  
Feng-Juan Zhu
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Three Dimensional ◽  
Octahedral Geometry ◽  
Distorted Octahedral Geometry ◽  
Water Molecules ◽  
Inversion Center ◽  
Lattice Water ◽  
Distorted Octahedral ◽  
Nitrate Anions

In the title compound, [Ni(C6H12N4O3)2](NO3)2·4H2O, the NiIIcation is located on an inversion center and isN,O,O′-chelated by two nitrilotris(acetamide) molecules in a distorted octahedral geometry. The complex cations, nitrate anions and lattice water molecules are connected by O—H...O and N—H...O hydrogen bonds, forming a three-dimensional supramolecular structure.

3-(Pyridin-4-yl)acetylacetone: CdII and HgII compete for nitrogen coordination

2017 ◽  
Vol 73 (9) ◽  
pp. 724-730 ◽  
Author(s):  
Khai-Nghi Truong ◽  
Carina Merkens ◽  
Ulli Englert
Keyword(s):  
Solid State ◽  
Hydrogen Bonds ◽  
Carbonyl Group ◽  
Coordination Sphere ◽  
Aqua Ligand ◽  
Polymeric Chain ◽  
One Dimensional ◽  
Distorted Octahedral Coordination ◽  
Distorted Octahedral ◽  
The One

3-(Pyridin-4-yl)acetylacetone (HacacPy) acts as a pyridine-type ligand towards CdII and HgII halides. With CdBr2, the one-dimensional polymer [Cd(μ-Br)2(HacacPy)Cd(μ-Br)2(HacacPy)2]∞ is obtained in which five- and six-coordinated CdII cations alternate in the chain direction. Reaction of HacacPy with HgBr2 results in [Hg(μ-Br)Br(HacacPy)]∞, a polymer in which each HgII centre is tetracoordinated. In both compounds, each metal(II) cation is N-coordinated by at least one HacacPy ligand. Equimolar reaction between these CdII and HgII derivatives, either conducted in ethanol as solvent or via grinding in the solid state, leads to ligand redistribution and the formation of the well-ordered bimetallic polymer catena-poly[[bromidomercury(II)]-μ-bromido-[aquabis[4-hydroxy-3-(pyridin-4-yl)pent-3-en-2-one]cadmium(II)]-di-μ-bromido], [CdHgBr4(C10H11NO2)2(H2O)] n or [{HgBr}(μ-Br){(HacacPy)2Cd(H2O)}(μ-Br)2]∞. HgII and CdII cations alternate in the [100] direction. The HacacPy ligands do not bind to the HgII cations, which are tetracoordinated by three bridging and one terminal bromide ligand. The CdII centres adopt an only slightly distorted octahedral coordination. Three bromide ligands link them in a (2 + 1) pattern to neighbouring HgII atoms; two HacacPy ligands in a cis configuration, acting as N-atom donors, and a terminal aqua ligand complete the coordination sphere. Classical O—H...Br hydrogen bonds stabilize the polymeric chain. O—H...O hydrogen bonds between aqua H atoms and the uncoordinated carbonyl group of an HacacPy ligand in a neighbouring strand in the c direction link the chains into layers in the (010) plane.

scholarly journals Bis(2-methoxyanilinium) hexabromidostannate(IV) dihydrate

2013 ◽  
Vol 69 (12) ◽  
pp. m678-m679 ◽  
Author(s):  
Hassen Chouaib ◽  
Sahel Karoui ◽  
Slaheddine Kamoun ◽  
Francois Michaud
Keyword(s):  
Lattice Water Molecule ◽  
Water Molecules ◽  
Inversion Center ◽  
Asymmetric Unit ◽  
Coordination Environment ◽  
Distorted Octahedral Coordination ◽  
Lattice Water ◽  
Compound C ◽  
Distorted Octahedral ◽  
Distorted Octahedral Coordination Environment

The asymmetric unit of the title compound, (C7H10NO)2[SnBr6]·2H2O, contains one cation, one half-dianion and one lattice water molecule. The [SnBr6]2−dianion, located on an inversion center, exhibits a highly distorted octahedral coordination environment, with Sn—Br bond lengths ranging from 2.2426 (9) to 3.0886 (13) Å. In the crystal, O—H...Br, N—H...Br, N—H...O and C—H...Br hydrogen bonds consolidate the packing, which can be described as consisting of alternating anionic (containing dianions and lattice water molecules) and cationic layers parallel toabplane.

scholarly journals catena-Poly[(diaquastrontium)-bis{μ-5-[4-(1H-imidazol-1-yl)phenyl]tetrazolido}]

2012 ◽  
Vol 68 (4) ◽  
pp. m523-m524 ◽  
Author(s):  
Shao-Wei Tong ◽  
Shi-Jie Li ◽  
Wen-Dong Song ◽  
Dong-Liang Miao ◽  
Qi Deng
Keyword(s):  
Hydrogen Bonds ◽  
Title Complex ◽  
Water Molecules ◽  
Stacking Interactions ◽  
Two Dimensional ◽  
Distorted Octahedral Coordination ◽  
Dimensional Network ◽  
Distorted Octahedral ◽  
Ring Centroid ◽  
Complex Polymer

In the title complex polymer, [Sr(C10H7N6)2(H2O)2]n, the SrIIatom lies on an inversion centre and is coordinated by four N atoms from two bidentate bridgingtrans-related 5-[4-(1H-imidazol-1-yl)phenyl]tetrazolide ligands [Sr—N = 2.387 (4) Å for the tetrazolide moiety and Sr—N = 2.273 (5) Å for the imidazole moiety], and by two O atoms from water molecules [Sr—O = 2.464 (4) Å], giving a distorted octahedral coordination. Pairs of ligand bridges link the complex units, forming chains which extend along [111] and are inter-associated through Owater—H...N hydrogen bonds, giving a two-dimensional network structure parallel to (001). Weak π–π stacking interactions between the benzene and imidazole rings are also present [minimum ring centroid separation = 3.691 (4) Å].

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.

scholarly journals Crystal structure of diammonium bis[tris(oxamide dioxime-κ2 N,N′)nickel(II)] bis[tris(oxalato-κ2 O,O′)chromate(III)] 6.76-hydrate

2020 ◽  
Vol 76 (11) ◽  
pp. 1732-1736
Author(s):  
Yves Alain Mbiangué ◽  
Alfred Bijvédé ◽  
Patrice Kenfack Tsobnang ◽  
Emmanuel Wenger ◽  
Claude Lecomte
Keyword(s):  
Hydrogen Bonds ◽  
Water Molecules ◽  
Asymmetric Unit ◽  
Bidentate Ligands ◽  
Distorted Octahedral Coordination ◽  
Distorted Octahedral ◽  
Medium Strength ◽  
Anionic Complexes ◽  
Coordination Spheres ◽  
Charge Balancing

The asymmetric unit of the title compound, (NH4)2[Ni(C2H6N4O2)3]2[Cr(C2O4)3]2·6.76H2O, comprises two NH4 + cations, two [Ni(C2H6N4O2)3]2+ cations and two [Cr(C2O4)3]3– anions, as well as eight water molecules of crystallization of which only one is fully occupied. In the cationic and anionic complexes, the central atoms (NiII and CrIII) are each surrounded by three bidentate ligands (N-chelating oxamide dioxime and O-chelating oxalate, respectively), resulting in distorted octahedral coordination spheres. In the crystal, O—H...O hydrogen bonds between the oxamide dioxime ligands as donor groups and the oxalate ligands as acceptor groups alternately connect the cationic and anionic complexes into infinite pillars extending parallel to [100]. Moreover, N—H...O hydrogen bonds between the same ligands connect neighboring pillars, thus delineating channels that accommodate the charge-balancing NH4 + cations as well as the water molecules of crystallization. Although the H atoms could not be localized for these two species, the corresponding N...O and O...O distances indicate hydrogen bonds of medium strength.

scholarly journals Diaquabis[4-(dimethylamino)pyridine-κN 1]bis[2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)acetato-κO 1]cobalt(II)

IUCrData ◽  
2019 ◽  
Vol 4 (1) ◽  
Author(s):  
Naouel Makouf ◽  
Aziza Chouiter ◽  
Henia Bouzidi Mousser ◽  
Amel Djedouani ◽  
Solenne Fleutot ◽  
...  
Keyword(s):  
Hydrogen Bonds ◽  
Supramolecular Structure ◽  
Title Complex ◽  
Water Molecules ◽  
Stacking Interactions ◽  
Coordination Geometry ◽  
Distorted Octahedral Coordination ◽  
Distorted Octahedral Coordination Geometry ◽  
Distorted Octahedral ◽  
Coordination Water

In the mononuclear title complex, [Co(C10H6NO4)2(C7H10N2)2(H2O)2], the CoII ion is located on an inversion centre and has a distorted octahedral coordination geometry of type CoN2O4 by two N atoms from the two 4-(dimethylamino)pyridine (DMAP) ligands, two carboxylate O atoms from the two deprotonated N-phthaloylglycine (Nphgly) ligands [systematic name: 2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)acetate] and two coordination water molecules. In the crystal, O—H...O, C—H...O hydrogen bonds and π–π stacking interactions link the molecules into the supramolecular structure.

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