scholarly journals [Bis(pyridin-2-ylmethyl)amine-κ3 N,N′,N′′]tricarbonylrhenium(I) bromide hemihydrate

2012 ◽  
Vol 68 (6) ◽  
pp. m741-m742
Author(s):  
Marietjie Schutte ◽  
Theunis J. Muller ◽  
Hendrik G. Visser ◽  
Andreas Roodt
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Water Molecule ◽  
Rotation Axis ◽  
Asymmetric Unit ◽  
Carbonyl Ligands ◽  
Octahedral Environment ◽  
Distorted Octahedral ◽  
Bromide Ion ◽  
Amine Ligand

The title compound, fac-[Re(C12H12N3)(CO)3]Br·0.5H2O, crystallizes with a cationic rhenium(I) unit, a bromide ion and half a water molecule, situated on a twofold rotation axis, in the asymmetric unit. The ReI atom is facially surrounded by three carbonyl ligands and a tridentate bis(pyridin-2-ylmethyl)amine ligand in a distorted octahedral environment. N—H...Br, O—H...Br, C—H...O and C—H...Br hydrogen bonds are present in the crystal structure and π–π stacking is also observed [centroid–centroid distances = 3.669 (1) Å and 4.054 (1) Å], giving rise to a three-dimentional network. The molecules pack in a head-to-head fashion along the ac plane.

2,5-Dibromopyridinium hexabromidostannate(IV)

2007 ◽  
Vol 63 (3) ◽  
pp. m892-m894 ◽  
Author(s):  
Basem Fares Ali ◽  
Rawhi Al-Far
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Rotation Axis ◽  
Supramolecular Architecture ◽  
Asymmetric Unit ◽  
Intermolecular Hydrogen Bonds ◽  
Compound C ◽  
Distorted Octahedral

The asymmetric unit of the title compound, (C5H4Br2N)2[SnBr6], contains one cation and one half-anion. The anion exhibits a distorted octahedral arrangement about the Sn atom, which lies on a crystallographic twofold rotation axis. In the crystal structure, intermolecular hydrogen bonds and short Br...Br interactions cause the formation of a supramolecular architecture, in which they may be effective in the stabilization of the structure.

scholarly journals Crystal structure of ammonium 3′-azido-3′-deoxythymidine-5′-aminocarbonylphosphonate hemihydrate: an anti-HIV agent

2014 ◽  
Vol 70 (11) ◽  
pp. 396-399
Author(s):  
Maxim V. Jasko ◽  
Galina V. Gurskaya ◽  
Marina K. Kukhanova ◽  
Ivan S. Bushmarinov
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Water Molecule ◽  
Rotation Axis ◽  
Three Dimensional ◽  
Amide Group ◽  
The Other ◽  
Asymmetric Unit ◽  
Anti Hiv

The asymmetric unit of the title compound, NH4+·C11H14N6O7P−·0.5H2O, contains one 3′-azido-3′-deoxythymidine-5′aminocarbonylphosphonate (ACP–AZT) anion, half of an NH4+cation lying on a twofold rotation axis and in another position, occupied with equal probabilities of 0.5, an NH4+cation and a water molecule. The amide group of the ACP–AZT anion is disordered (occupancy ratio 0.5:0.5), with one part forming an N—H...O (involving C=O...H4N+) hydrogen bond and the other an O—H...N (involving C—NH2...OH2) hydrogen bond with the components of the split NH4+/H2O position. The pseudorotation parameters of ACP–AZT set it apart from previously studied AZT and thymidine. In the crystal, the various components are linked by N—H...O, O—H...O, N—H...N, C—H...O and C—H...N hydrogen bonds, forming a three-dimensional framework.

scholarly journals A neutral cubane with a ZnII4O4core: tetrabenzoatotetrakis(μ3-hydroxydi-2-pyridylmethanolato)tetrazinc(II)–acetone–methanol (1/2/1)

2009 ◽  
Vol 65 (6) ◽  
pp. m658-m659 ◽  
Author(s):  
Dong Hoon Shin ◽  
Sim-Hee Han ◽  
Pan-Gi Kim ◽  
Cheal Kim ◽  
Youngmee Kim
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Rotation Axis ◽  
Solvent Molecule ◽  
Asymmetric Unit ◽  
Distorted Octahedral Environment ◽  
Octahedral Environment ◽  
Distorted Octahedral ◽  
Type Bond

In the title compound, [Zn4(C11H9N2O2)4(C7H5O2)4]·2(CH3)2CO·CH3OH, the tetranuclear molecule lies on a fourfold inversion axis. ZnIIions and μ3-O atoms in the cubane core occupy alternating vertices, forming two interpenetrating tetrahedra. Each ZnIIion is further coordinated by two N atoms from two different (py)2C(OH)O ligands (py is pyridyl) and one O atom from a monodentate benzoate ligand, forming a distorted octahedral environment. The (py)2C(OH)O ligand acts in an η1:η3:η1:μ3manner, forming two five-membered ZnNCCO chelating rings with two different ZnIIatoms sharing a common C—O bond, and an alkoxide-type bond to a third ZnIIion. There are four symmetry-related intramolecular O—H...O hydrogen bonds between the two types of ligands. In the asymmetric unit, there is a half-occupancy acetone solvent molecule and a half-occupancy methanol solvent molecule that lies on a twofold rotation axis.

Bis(2,2′-bipyridine){3,8-bis[2-(4-tolyl)ethynyl]-1,10-phenanthroline}ruthenium(II) bis(hexafluorophosphate)

2006 ◽  
Vol 62 (5) ◽  
pp. m980-m982 ◽  
Author(s):  
Michito Shiotsuka ◽  
Yasuhiro Inui ◽  
Mitsuhiro Ito ◽  
Satoru Onaka ◽  
Tomoji Ozeki ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Stacking Interactions ◽  
Asymmetric Unit ◽  
Distorted Octahedral Environment ◽  
Octahedral Environment ◽  
Π Stacking ◽  
Distorted Octahedral

The asymmetric unit of the title compound, [Ru(C10H8N2)2(C30H20N2)](PF6)2, contains a monomeric [Ru(bpy)2(dtephen)] cation {bpy is 2,2′-bipyridine and dtephen is 3,8-bis[2-(4-tolyl)ethynyl]-1,10-phenanthroline} and two hexafluorophosphate anions. The ruthenium(II) ion is in a distorted octahedral environment coordinated by two bpy ligands and one dtephen ligand. The dtephen ligand is almost planar. π–π stacking interactions and C—H...F hydrogen bonds are observed in the crystal structure.

scholarly journals Crystal structure of poly[aqua[μ-1,1′-(9,9-dimethyl-9H-fluoren-2,7-diyl)di-1H-imidazole](μ-naphthalene-1,4-dicarboxylato)nickel(II)]

2014 ◽  
Vol 70 (9) ◽  
pp. m324-m325
Author(s):  
Hengye Zou ◽  
Yanjuan Qi
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Water Molecule ◽  
Title Compound ◽  
Octahedral Geometry ◽  
Distorted Octahedral Geometry ◽  
Asymmetric Unit ◽  
Axis Direction ◽  
Carboxylate Anions ◽  
Distorted Octahedral

In the title compound, [Ni(C12H6O4)(C21H18N4)(H2O)]n, the NiIIcation is coordinated by three carboxylate O atoms of two naphthalene-1,4-dicarboxylate anions, one water molecule and two N atoms of two 1,1′-(9,9-dimethyl-9H-fluoren-2,7-diyl)di-1H-imidazole (DFDI) ligands, giving rise to a slightly distorted octahedral geometry. The NiIIions are linked by the DFDI ligands into chains, which are further connected by the carboxylate anions into double chains that elongate in the theb-axis direction. These double chains are linked by centrosymmetric pairs of O—H...O hydrogen bonds into layers parallel to (10-1). The asymmetric unit consists of one crystallographically independent NiIIcation, one carboxylate and one DFDI ligand, as well as of one water molecule, all of them located in general positions.

scholarly journals Potassium bis(2-methyllactato)borate hemihydrate

IUCrData ◽  
2019 ◽  
Vol 4 (2) ◽  
Author(s):  
Govindharajan Gokila ◽  
Aravazhi Amalan Thiruvalluvar ◽  
Chidambaram Ramachandra Raja
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Water Molecule ◽  
Rotation Axis ◽  
Potassium Cation ◽  
Asymmetric Unit ◽  
Inorganic Hybrid

The asymmetric unit of the title organic–inorganic hybrid salt poly[aquabis[μ3-bis(2-methyllactato)borato]dipotassium], [K(C8H12BO6)(H2O)0.5] n , consists of one bis(2-methyllactato)borate anion, one potassium cation and one water molecule that shows half occupancy due to disorder around a twofold rotation axis. The potassium cation is pseudo-octahedrally coordinated by five O atoms of four symmetry-related bis(2-methyllactato)borate ligands and by the half-occupied water molecule. O—H...O hydrogen bonds between the water molecule and one of the borate O atoms of the bis(2-methyllactato)borate ligand are present in the crystal structure.

scholarly journals Crystal structure of hexaaquanickel(II) bis{5-bromo-7-[(2-hydroxyethyl)amino]-1-methyl-6-oxidoquinolin-1-ium-3-sulfonate} monohydrate

2016 ◽  
Vol 72 (9) ◽  
pp. 1242-1245
Author(s):  
Hai Le Thi Hong ◽  
Vinh Nguyen Thi Ngoc ◽  
Anh Do Thi Van ◽  
Luc Van Meervelt
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Water Molecule ◽  
Lattice Water Molecule ◽  
Rotation Axis ◽  
Complex Cation ◽  
Stacking Interactions ◽  
Inversion Center ◽  
Asymmetric Unit ◽  
Lattice Water

The asymmetric unit of the title compound, [Ni(H2O)6](C12H12BrN2O5S)2·H2O, contains a half hexaaquanickel(II) complex cation with the NiIIion lying on an inversion center, one 5-bromo-7-[(2-hydroxyethyl)amino]-1-methyl-6-oxidoquinolin-1-ium-3-sulfonate (QAO) anion and a half lattice water molecule on a twofold rotation axis. In the crystal,QAOanions are stacked in a column along thecaxis by π–π stacking interactions [centroid–centroid distances 3.5922 (10)–3.7223 (11) Å]. The columns are interlinked by hexaaquanickel(II) cations through O—H...O and N—H...O hydrogen bonds.

scholarly journals Selective synthesis and crystal structures of manganese(I) complexes with a bi- or tridentate terpyridine ligand

2020 ◽  
Vol 76 (7) ◽  
pp. 1139-1142
Author(s):  
Kosei Wadayama ◽  
Tsugiko Takase ◽  
Dai Oyama
Keyword(s):  
Hydrogen Bonds ◽  
Crystal Structures ◽  
Metal Ion ◽  
Coordination Mode ◽  
Selective Synthesis ◽  
Complex Molecules ◽  
Carbonyl Ligands ◽  
Octahedral Environment ◽  
Distorted Octahedral ◽  
Bromide Ion

The crystal structures of two manganese(I) complexes with a different coordination mode of the supporting ligand are reported: fac-bromidotricarbonyl(4′-phenyl-2,2′:6′,2′′-terpyridine-κ2 N,N′)manganese(I), [MnBr(C21H15N3)(CO)3], I, and cis-bromidodicarbonyl(4′-phenyl-2,2′:6′,2′′-terpyridine-κ3 N,N′,N′′)manganese(I), [MnBr(C21H15N3)(CO)2], II. In both complexes, the manganese(I) atom is coordinated by terminal carbonyl ligands, a bromide ion, and a 4′-phenyl-2,2′:6′,2′′-terpyridine ligand within a distorted octahedral environment. In I, the metal ion is facially coordinated by three carbonyl ligands and the terpyridine ligand binds in a bidentate fashion. The non-coordinating nitrogen atom in the terpyridine ligand is positioned on the side opposite to the bromido ligand. In II, the metal ion is coordinated by two carbonyl ligands in a cis configuration and the terpyridine ligand binds in a tridentate fashion; notably, one carbonyl and the trans bromido ligand are mutually disordered over two positions. In I, the complex molecules are linked by C—H...Br hydrogen bonds. In II, aromatic π–π contacts are present, as well as pairs of C—H...Br and C—H...O hydrogen bonds.

scholarly journals fac-[1,2-Bis(pyridin-4-yl)ethane-κN]tricarbonyl(1,10-phenanthroline-κ2N,N′)rhenium(I) hexafluoridophosphate acetonitrile monosolvate

2014 ◽  
Vol 70 (7) ◽  
pp. m278-m279 ◽  
Author(s):  
Silvana Guilardi ◽  
Antonio Otavio Toledo Patrocinio ◽  
Sinval Fernandes de Sousa ◽  
Javier Ellena
Keyword(s):  
Hydrogen Bonds ◽  
Crystal Packing ◽  
Solvent Molecule ◽  
Octahedral Geometry ◽  
Distorted Octahedral Geometry ◽  
Asymmetric Unit ◽  
Carbonyl Ligands ◽  
Distorted Octahedral ◽  
Phenanthroline Ligand ◽  
Solvent Molecules

The asymmetric unit of the title compound, [Re(C12H8N2)(C12H12N2)(CO)3]PF6.·CH3CN, contains one cation, one hexafluoridophosphate anion and one acetonitrile solvent molecule. The ReIion is coordinated by two N atoms from the 1,10-phenanthroline ligand and one N atom from the 1,2-bis(pyridin-4-yl)ethane ligand [mean Re—N = 2.191 (15) Å] and by three carbonyl ligands [mean Re—C = 1.926 (3) Å] in a distorted octahedral geometry. The electrostatic forces and weak C—H...F(O) hydrogen bonds pack cations and anions into the crystal with voids of 82 Å3, which are filled by solvent molecules. The crystal packing exhibits short intermolecular O...O distance of 2.795 (5) Å between two cations related by inversion.

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.

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