Di-μ2-methanolato-bis[tetrakis(pyrimidin-2-amine-κN 1)cobalt(II)] bis(tetrafluoroborate)

2006 ◽  
Vol 62 (5) ◽  
pp. m1159-m1161 ◽  
Author(s):  
Yang Li ◽  
Xi-Quan Zhang ◽  
Xi-Chang Zhang ◽  
Xiang-Jian Wang ◽  
Rui-Qin Fang
Keyword(s):  
Hydrogen Bonding ◽  
Title Compound ◽  
General Position ◽  
Rotation Axis ◽  
Intermolecular Hydrogen Bonding ◽  
Asymmetric Unit ◽  
Amine Ligand

The title compound, [Co2(CH3O)2(C4H5N3)4](BF4)2, consists of a discrete dimeric CoII complex. The asymmetric unit consists of one pyrimidin-2-amine ligand, which occupies a general position, and one methanolate group, as well as one CoII cation and one tetrafluoroborate anion, which are located in special positions. The CoII cation lies on a twofold rotation axis, whereas the tetrafluoroborate anion and the methanolate group lie on mirror planes. The N atoms of the pyrimidin-2-amine ligand are involved in intermolecular hydrogen bonding. From this arrangement, large channels are formed, which elongate in the direction of the crystallographic c axis.

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 1-(4-Chlorobutanoyl)-3-(2-nitrophenyl)thiourea

2012 ◽  
Vol 68 (6) ◽  
pp. o1801-o1801 ◽  
Author(s):  
Nurziana Ngah ◽  
Maisara Kadir ◽  
Bohari M. Yamin ◽  
M. Sukeri M. Yusof
Keyword(s):  
Hydrogen Bonding ◽  
Benzene Ring ◽  
Title Compound ◽  
Dihedral Angles ◽  
Intermolecular Hydrogen Bonding ◽  
Asymmetric Unit ◽  
Compound C ◽  
Thioamide Group ◽  
Independent Molecules

The asymmetric unit of the title compound, C11H12ClN3O3S, contains two independent molecules with different conformations in which the benzene ring and the thiourea fragment form dihedral angles of 87.28 (12) and 66.44 (10)°. The O atom of the thioamide group is involved in bifurcated N—H...O intra- and intermolecular hydrogen bonding; the latter interaction links the independent molecules into a dimer. In the crystal, N—H...S interactions link the molecules into chains propagating along the c axis.

scholarly journals Bis(acetato-κO)bis(4,5-dimethylbenzene-1,2-diamine-κN)zinc

2012 ◽  
Vol 68 (8) ◽  
pp. m1040-m1040 ◽  
Author(s):  
David K. Geiger
Keyword(s):  
Hydrogen Bonding ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Crystal Packing ◽  
Rotation Axis ◽  
Asymmetric Unit

The structure of the title compound, [Zn(CH3COO)2(C8H12N2)2], has one half molecule in the asymmetric unit. The ZnIIatom is situated on a twofold rotation axis and is tetrahedrally coordinated by two N and two O atoms. The crystal packing displays intermolecular N—H...O hydrogen bonds and intramolecular N—H...O and N—H...N hydrogen bonding.

scholarly journals 1,1′-Biphenyl-2,2′,5,5′-tetracarboxylic acid

IUCrData ◽  
2016 ◽  
Vol 1 (8) ◽  
Author(s):  
Yan-Hong Li ◽  
Li-Ping Lu
Keyword(s):  
Hydrogen Bonding ◽  
Dihedral Angle ◽  
Title Compound ◽  
Rotation Axis ◽  
Supramolecular Network ◽  
Two Dimensional ◽  
Tetracarboxylic Acid ◽  
Asymmetric Unit ◽  
Compound C ◽  
Phenyl Rings

In the title compound, C16H10O8or H4bptc, the dihedral angle between the planes of the phenyl rings is 51.90 (4)°. The asymmetric unit contains one half-molecule; complete molecules are generated by a twofold rotation axis. In the crystal, O—H...O and C—H...O hydrogen-bonding generate a two-dimensional supramolecular network. In addition, weak π–π interactions are also observed.

scholarly journals Crystal structure of poly[[(2,2′-bipyridine)manganese(II)]-di-μ-thiocyanato]

2014 ◽  
Vol 70 (12) ◽  
pp. m401-m402
Author(s):  
Stefan Suckert ◽  
Susanne Wöhlert ◽  
Inke Jess ◽  
Christian Näther
Keyword(s):  
Crystal Structure ◽  
Title Compound ◽  
General Position ◽  
Rotation Axis ◽  
The Other ◽  
Asymmetric Unit ◽  
Thiocyanate Anion ◽  
Manganese Cation ◽  
Bipyridine Ligand

In the crystal structure of the polymeric title compound, [Mn(NCS)2(C10H8N2)]n, the MnIIcations are coordinated by one chelating 2,2′-bipyridine ligand and four thiocyanate anions (twoN- and twoS-coordinating), forming a distorted [MnN4S2] octahedron. The asymmetric unit consists of one manganese cation located on a twofold rotation axis and half of a 2,2′-bipyridine ligand, the other half being generated by the same twofold rotation axis, as well as one thiocyanate anion in a general position. The MnIIcations are linked by two pairs of μ1,3-bridging thiocyanate ligands into chains along thecaxis; because the N atoms of the 2,2′-bipyridine ligands, as well as the N and the S atoms of the thiocyanate anions, are eachcis-coordinating, these chains show a zigzag arrangement.

scholarly journals 5-Amino-1-(2′,3′-O-isopropylidene-D-ribityl)-1H-imidazole-4-carboxamide: a crystal structure withZ′ = 4

2017 ◽  
Vol 73 (2) ◽  
pp. 183-187 ◽  
Author(s):  
Vincenzo Piccialli ◽  
Nicola Borbone ◽  
Giorgia Oliviero ◽  
Gennaro Piccialli ◽  
Stefano D'Errico ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Title Compound ◽  
Monoclinic Space Group ◽  
Intermolecular Hydrogen Bonding ◽  
Asymmetric Unit ◽  
Compound C ◽  
Independent Molecules ◽  
Intramolecular Hydrogen ◽  
Similar Conformation

The title compound, C12H20N4O5, crystallizes in the monoclinic space groupP21, with four crystallographically independent molecules in the asymmetric unit. The four molecules have a very similar conformation that is basically determined by the formation of two intramolecular hydrogen bonds between the amino NH2donors and the carbonyl and ring O-atom acceptors, forming, respectively,R(6) andR(7) ring motifs.. In the crystal, intermolecular hydrogen bonding leads to the formation ofR22(10) ring patterns, involving one amide CONH2donor and an imidazole N-atom acceptor. The cluster of the four independent molecules has approximate non-crystallographicC2point symmetry. The structural analysis also shows that during the synthesis of the title compound, the reductive cleavage of the D-ribose ring of the inosine precursor proceeds stereoselectively, with retention of configuration.

scholarly journals Crystal structure of hydrazine iron(III) phosphate, the first transition metal phosphate containing hydrazine

2015 ◽  
Vol 71 (12) ◽  
pp. 1436-1438 ◽  
Author(s):  
Renald David
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Transition Metal ◽  
Title Compound ◽  
Rotation Axis ◽  
Three Dimensional ◽  
Metal Phosphate ◽  
Asymmetric Unit ◽  
Hydrothermal Conditions

The title compound, poly[(μ2-hydrazine)(μ4-phosphato)iron(III)], [Fe(PO4)(N2H4)]n, was prepared under hydrothermal conditions. Its asymmetric unit contains one FeIIIatom located on an inversion centre, one P atom located on a twofold rotation axis, and two O, one N and two H atoms located on general positions. The FeIIIatom is bound to four O atoms of symmetry-related PO4tetrahedra and to two N atoms of two symmetry-related hydrazine ligands, resulting in a slightly distorted FeO4N2octahedron. The crystal structure consists of a three-dimensional hydrazine/iron phoshate framework whereby each PO4tetrahedron bridges four FeIIIatoms and each hydrazine ligand bridges two FeIIIatoms. The H atoms of the hydrazine ligands are also involved in moderate N—H...O hydrogen bonding with phosphate O atoms. The crystal structure is isotypic with the sulfates [Co(SO4)(N2H4)] and [Mn(SO4)(N2H4)].

scholarly journals Crystal structure of octakis(4-methoxypyridinium) bis(4-methoxypyridine-κN)tetrakis(thiocyanato-κN)ferrate(III) bis[(4-methoxypyridine-κN)pentakis(thiocyanato-κN)ferrate(III)] hexakis(thiocyanato-κN)ferrate(III) with iron in three different octahedral coordination environments

2018 ◽  
Vol 74 (3) ◽  
pp. 287-291 ◽  
Author(s):  
Aleksej Jochim ◽  
Inke Jess ◽  
Christian Näther
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
General Position ◽  
Rotation Axis ◽  
Organic Cations ◽  
Asymmetric Unit ◽  
Charge Balance ◽  
Coulombic Interactions ◽  
Hydrogen Bonding Interactions ◽  
Complex Anions

The crystal structure of the title salt, (C6H8NO)8[Fe(NCS)4(C6H7NO)2][Fe(NCS)5(C6H7NO)]2[Fe(NCS)6], comprises three negatively charged octahedral FeIIIcomplexes with different coordination environments in which the FeIIIatoms are coordinated by a different number of thiocyanate anions and 4-methoxypyridine ligands. Charge balance is achieved by 4-methoxypyridinium cations. The asymmetric unit consists of three FeIIIcations, one of which is located on a centre of inversion, one on a twofold rotation axis and one in a general position, and ten thiocyanate anions, two 4-methoxypyridine ligands and 4-methoxypyridinium cations (one of which is disordered over two sets of sites). Beside to Coulombic interactions between organic cations and the ferrate(III) anions, weak N—H...S hydrogen-bonding interactions involving the pyridinium N—H groups of the cations and the thiocyanate S atoms of the complex anions are mainly responsible for the cohesion of the crystal structure.

2,4,6-Trimethylpyridine-3,5-dicarbonitrile

2006 ◽  
Vol 62 (7) ◽  
pp. o2765-o2767
Author(s):  
Hong-Li Wang ◽  
Bin Zhang ◽  
Yi Dai
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Title Compound ◽  
Asymmetric Unit ◽  
Compound C ◽  
Hydrogen Bonding Interactions

The title compound, C10H9N3, is essently planar, except for the methyl H atoms. The asymmetric unit consists of two molecules. In the crystal structure, weak intramolecular C—H...N hydrogen-bonding interactions occur, linking the molecules into chains propagating along the a axis.

3-n-Butyl-2-methoxy-1-benzothieno[3,2-d]pyrimidin-4(3H)-one

2006 ◽  
Vol 62 (4) ◽  
pp. o1319-o1320 ◽  
Author(s):  
Min-Hui Cao ◽  
Sheng-Zhen Xu ◽  
Yang-Gen Hu
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Benzene Ring ◽  
Title Compound ◽  
Thiophene Ring ◽  
Stacking Interactions ◽  
Asymmetric Unit ◽  
Compound C ◽  
Π Stacking ◽  
Independent Molecules

The title compound, C15H16N2O2S, contains a five-membered thiophene ring fused to a benzene ring and a substituted pyrimidinone ring. All three rings in each of the independent molecules of the asymmetric unit lie in approximately the same plane. The crystal structure is stabilized by intermolecular C—H...O hydrogen bonding and π–π stacking interactions.

Sign in / Sign up

Export Citation Format

Share Document