Bis(μ-1H-benzimidazole-5,6-dicarboxylato)bis[tetraaquadicobalt(II)] pentahydrate

2007 ◽  
Vol 63 (11) ◽  
pp. m2657-m2658 ◽  
Author(s):  
Yu-Lin Lo ◽  
Wen-Chieh Wang ◽  
Gon-Ann Lee ◽  
Yen-Hsiang Liu
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Water Molecule ◽  
Title Compound ◽  
Water Molecules ◽  
Asymmetric Unit ◽  
Type Complex

The title compound, [Co2(C9H4N2O4)2(H2O)8]·5H2O, contains two CoII ions that are bridged by two 1H-benzimidazole-5,6-dicarboxylate ligands to form an M 2 L 2 type complex (M = metal and L = ligand). There are two crystallographically distinct M 2 L 2 units, each on an inversion centre, along with coordinated and uncoordinated water molecules, in the asymmetric unit. The CoII ions are octahedral. Extensive hydrogen bonding exists between the complex and water molecules, and this helps to stabilize the crystal structure. One water molecule is disordered over two sites with occupancies 0.84:0.16.

scholarly journals Crystal structure of a trigonal polymorph of aquadioxidobis(pentane-2,4-dionato-κ2 O,O′)uranium(VI)

2022 ◽  
Vol 78 (1) ◽  
Author(s):  
Alejandro Hernandez ◽  
Indranil Chakraborty ◽  
Gabriela Ortega ◽  
Christopher J. Dares
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Water Molecule ◽  
Equatorial Plane ◽  
Title Compound ◽  
Uranium Atom ◽  
Intermolecular Hydrogen Bonding ◽  
Two Dimensional ◽  
Asymmetric Unit ◽  
Acta Cryst

The title compound, [UO2(acac)2(H2O)] consists of a uranyl(VI) unit ([O=U=O]2+) coordinated to two monoanionic acetylacetonate (acac, C5H7O2) ligands and one water molecule. The asymmetric unit includes a one-half of a uranium atom, one oxido ion, one-half of a water molecule and one acac ligand. The coordination about the uranium atom is distorted pentagonal–bipyramidal. The acac ligands and Ow atom comprise the equatorial plane, while the uranyl O atoms occupy the axial positions. Intermolecular hydrogen bonding between complexes results in the formation of two-dimensional hexagonal void channels along the c-axis direction with a diameter of 6.7 Å. The monoclinic (P21/c space group) polymorph was reported by Alcock & Flanders [(1987). Acta Cryst. C43, 1480–1483].

scholarly journals Crystal structure of melaminium cyanoacetate monohydrate

2020 ◽  
Vol 76 (10) ◽  
pp. 1645-1648
Author(s):  
Bhawani Sigdel Regmi ◽  
Allen Apblett ◽  
Douglas Powell
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Water Molecule ◽  
Title Compound ◽  
Three Dimensional ◽  
Membered Ring ◽  
Water Molecules ◽  
Asymmetric Unit ◽  
Dimensional Network

The asymmetric unit of the title compound, 2,4,6-triamino-1,3,5-triazin-1-ium cyanoacetate monohydrate, C3H7N6 +·NCCH2COO−·H2O, consists of a melaminium cation, a cyanoacetate anion and a water molecule, which are connected to each other via N—H...O and O—H...O hydrogen bonds, generating an eight-membered ring. In the crystal, the melaminium cations are connected by two pairs of N—H...N hydrogen bonds, forming tapes along [110]. These tapes develop a three-dimensional network through N—H...O, O—H...O, N—H...N and C—H...O hydrogen bonds between the cations, anions and water molecules.

scholarly journals Crystal structure of 8-(4-methylphenyl)-2′-deoxyadenosine hemihydrate

2018 ◽  
Vol 74 (1) ◽  
pp. 1-5 ◽  
Author(s):  
Ajaykumar V. Ardhapure ◽  
Yogesh S. Sanghvi ◽  
Yulia Borozdina ◽  
Anant Ramakant Kapdi ◽  
Carola Schulzke
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Water Molecule ◽  
Title Compound ◽  
Crystal Packing ◽  
The Other ◽  
Independent Molecule ◽  
Asymmetric Unit ◽  
Solvent Water ◽  
Independent Molecules

In the asymmetric unit, equalling the unit cell (triclinic,P1,Z= 1), two molecules of the title compound, 8-(4-methylphenyl)-D-2′-deoxyadenosine, C17H19N5O3, are present, with distinct conformations of the two sugar moieties, together with one solvent water molecule. All three ribose O atoms are involved in hydrogen bonding and the crystal packing is largely determined by hydrogen-bonding or hydrogen–heteroatom interactions (O—H...O, O—H...N, N—H...O, C—H...O and C—H...N) with one independent molecule directly linked to four neighbouring molecules and the other molecule directly linked to six neighbouring molecules. The two independent molecules of the asymmetric unit display three weak intramolecular C—H-to-heteroatom contacts, two of which are very similar despite the different conformations of the deoxyribosyl moieties. The aromatic ring systems of both molecules are in proximity to each other and somehow aligned, though not coplanar. The absolute structures of the two molecules were assumed with reference to the reactant 8-bromo-D-2′-deoxyadenosine as they could not be determined crystallographically.

2′,7′-Di-4-pyridylspiro[cyclopropane-1,9′-fluorene] hemihydrate

2006 ◽  
Vol 62 (7) ◽  
pp. o3013-o3014 ◽  
Author(s):  
Zi-Xing Wang ◽  
Hai-Yao Lin ◽  
Ping Lu
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Water Molecule ◽  
Title Compound ◽  
Dihedral Angles ◽  
Asymmetric Unit ◽  
Solvent Water Molecule ◽  
One Dimensional ◽  
Solvent Water ◽  
Compound C

The asymmetric unit of the crystal structure of the title compound, C25H18N2·0.5H2O, contains two independent dipyridylspiro(cyclopropanefluorene) (CPF) molecules and one solvent water molecule. The two CPF molecules show significantly different dihedral angles between the pyridine rings and fluorene plane. The water molecule links with the CPF molecules via O—H...N hydrogen bonding to form a one-dimensional supramolecular chain.

scholarly journals Poly[μ6-(naphthalene-2,6-dicarboxylato)-bis(aqualithium)]

2014 ◽  
Vol 70 (8) ◽  
pp. m288-m288
Author(s):  
Lionel Fédèle ◽  
Frédéric Sauvage ◽  
Matthieu Becuwe ◽  
Jean-Noël Chotard
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Water Molecule ◽  
Title Compound ◽  
Inversion Symmetry ◽  
Asymmetric Unit ◽  
Carboxylate Groups

The title compound, [Li2(C12H6O4)(H2O)2]n, crystallizes with one half of the molecular entities in the asymmetric unit. The second half is gererated by inversion symmetry. The crystal structure has a layered arrangement built from distorted edge-sharing LiO3(OH)2tetrahedra parallel to (100), with naphthalenedicarboxylate bridging the LiO3(OH)2layers along the [100] direction. Hydrogen bonding between the water molecule and adjacent carboxylate groups consolidates the packing.

scholarly journals Hexaaquacobalt(II) 2,2′-[naphthalene-1,8-diylbis(oxy)]diacetate dihydrate

2013 ◽  
Vol 69 (2) ◽  
pp. m103-m104
Author(s):  
Hui Fang Shi ◽  
Tao Wu ◽  
Peng Gang Jiang ◽  
Zhi Hao ◽  
Miao Miao Zhang
Keyword(s):  
Hydrogen Bonding ◽  
Water Molecule ◽  
Title Compound ◽  
Crystal Packing ◽  
Water Molecules ◽  
Inversion Symmetry ◽  
Asymmetric Unit ◽  
Hydrate Water ◽  
Carboxylate Groups

In the title compound, [Co(H2O)6](C14H10O6)·2H2O, the 2,2′-[naphthalene-1,8-diylbis(oxy)]diacetate dianionLis not coordinated to the CoIIion. The asymmetric unit contains half of theLdianion, half of a [Co(H2O)6]2+cation (both molecules being completed by inversion symmetry), and one water molecule. The crystal packing features O—H...O hydrogen bonding between the carboxylate groups, the aqua ligands and the hydrate water molecules.

Triaquatetrakis(dimethylacetamide-κO)gadolinium(III) hexacyanoferrate(III) dihydrate

2006 ◽  
Vol 62 (5) ◽  
pp. m989-m991 ◽  
Author(s):  
Helle Svendsen ◽  
Jacob Overgaard ◽  
Marie A. Chevalier ◽  
Bo B. Iversen
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonding ◽  
Water Molecule ◽  
Title Compound ◽  
Structural Disorder ◽  
Water Molecules ◽  
Asymmetric Unit ◽  
Bimetallic Complex ◽  
Solvent Water ◽  
Cyano Groups

The title compound, [Gd(C4H9NO)4(H2O)3][Fe(CN)6]·2H2O, is a bimetallic complex containing two isolated metal complexes. The Fe atom is bonded to six cyano ligands forming an almost ideal octahedron. One of the cyano groups is also connected through a hydrogen bond to a water molecule bonded to the Ga atom. Aside from three water molecules, gadolinium is also coordinated by four dimethylacetamide molecules, two of which show various degrees of structural disorder. The asymmetric unit also includes two solvent water molecules, which take part in hydrogen bonding, forming an extended network.

scholarly journals Crystal structure of 2-methyl-1,2,3,4-tetrahydroisoquinoline trihydrate

2020 ◽  
Vol 76 (3) ◽  
pp. 298-302
Author(s):  
Felix Langenohl ◽  
Felix Otte ◽  
Carsten Strohmann
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Title Compound ◽  
Water Molecules ◽  
Heterocyclic Amine ◽  
Asymmetric Unit ◽  
Compound C

The crystal structure of the title compound, C10H13N·3H2O, a heterocyclic amine, was determined in the presence of water. The compound co-crystallizes with three water molecules in the asymmetric unit, which leads to the formation of hydrogen bonding in the crystal.

scholarly journals Crystal structure of diaquabis(4-cyanopyridine-κN)bis(thiocyanato-κN)iron(II) 4-cyanopyridine disolvate

2017 ◽  
Vol 73 (4) ◽  
pp. 463-466 ◽  
Author(s):  
Aleksej Jochim ◽  
Inke Jess ◽  
Christian Näther
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Water Molecule ◽  
Coordination Polyhedron ◽  
Title Compound ◽  
Three Dimensional ◽  
Water Molecules ◽  
Asymmetric Unit ◽  
Dimensional Network ◽  
Solvent Molecules

The asymmetric unit of the title compound, [Fe(NCS)2(C6H4N2)2(H2O)2]·2C6H4N2, comprises one FeIIcation occupying an inversion centre as well as one thiocyanate anion, one water molecule and two 4-cyanopyridine molecules in general positions. The iron cations are coordinated by two N-bonded thiocyanate anions, two (pyridine)N-bonded 4-cyanopyridine ligands and two water molecules into discrete complexes. The resulting coordination polyhedron can be described as a slightly distorted octahedron. The discrete complexes are connected through centrosymmetric pairs of (pyridine)C—H...N(cyano) hydrogen bonds into chains that are further linked into a three-dimensional network through intermolecular O—H...N hydrogen bonds involving the 4-cyanopyridine solvent molecules.

scholarly journals Crystal structure of diaquabis(2-chloropyridine-κN)bis(thiocyanato-κN)nickel(II)

2016 ◽  
Vol 72 (10) ◽  
pp. 1492-1494 ◽  
Author(s):  
Stefan Suckert ◽  
Inke Jess ◽  
Christian Näther
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Water Molecule ◽  
Title Compound ◽  
Crystal Packing ◽  
Weak Interactions ◽  
Asymmetric Unit ◽  
Thiocyanate Anion ◽  
Hydrogen Bonding Interactions

The asymmetric unit of the title compound, [Ni(NCS)2(C5H4ClN)2(H2O)2], consists of one nickel(II) cation that is located on a center of inversion and one thiocyanate anion, one water molecule and one 2-chloropyridine ligand all occupying general positions. The NiIIcation is octahedrally coordinated by two terminal N-bound thiocyanato ligands, two aqua ligands and two N-bound 2-chloropyridine ligands into discrete complexes. Individual complexes are linked by intermolecular O—H...S and O—H...Cl hydrogen-bonding interactions into a layered network extending parallel to thebcplane. Weak interactions of types C—H...S and C—H...Cl consolidate the crystal packing.

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