scholarly journals Crystal structure of hexakis(dimethyl sulfoxide-κO)cobalt(II) bis[trichlorido(quinoline-κN)cobaltate(II)]

2018 ◽  
Vol 74 (3) ◽  
pp. 309-312 ◽  
Author(s):  
Tyler K. Brescia ◽  
Kaltrina Mulosmani ◽  
Shivani Gulati ◽  
Demosthenes Athanasopoulos ◽  
Rita K. Upmacis
Keyword(s):  
Crystal Structure ◽  
Dimethyl Sulfoxide ◽  
Crystal Structures ◽  
Title Compound ◽  
Metal Ion ◽  
Cobalt Salt ◽  
Inversion Center ◽  
Chloride Ligands ◽  
Quinoline Moiety ◽  
Octahedral Configuration

There are few reports that describe crystal structures of compounds containing cobalt complexed to either dimethyl sulfoxide (Me2SO) or quinoline (C9H7N). The title compound, [Co(C2H6OS)6][CoCl3(C9H7N)]2, is a cobalt salt in which the metal ion is complexed to both Me2SO and quinoline. In particular, we observed that anhydrous cobalt(II) chloride reacts with quinoline in Me2SO to form a salt that is to be formulated as [CoII(Me2SO)6]2+{[CoIICl3quinoline]2−}. The CoIIatom in the cation portion of this molecule lies on a inversion center and is bound to the O atoms of six Me2SO moieties in an octahedral configuration, while the CoIIatom in the anion is attached to three chloride ligands and one quinoline moiety in a tetrahedral arrangement.

scholarly journals How cyanophage S-2L rejects adenine and incorporates 2-aminoadenine to saturate hydrogen bonding in its DNA

2021 ◽  
Vol 12 (1) ◽  
Author(s):  
Dariusz Czernecki ◽  
Pierre Legrand ◽  
Mustafa Tekpinar ◽  
Sandrine Rosario ◽  
Pierre-Alexandre Kaminski ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Crystal Structures ◽  
Active Site ◽  
Metal Ion ◽  
Restriction Endonucleases ◽  
Structural Element

AbstractBacteriophages have long been known to use modified bases in their DNA to prevent cleavage by the host’s restriction endonucleases. Among them, cyanophage S-2L is unique because its genome has all its adenines (A) systematically replaced by 2-aminoadenines (Z). Here, we identify a member of the PrimPol family as the sole possible polymerase of S-2L and we find it can incorporate both A and Z in front of a T. Its crystal structure at 1.5 Å resolution confirms that there is no structural element in the active site that could lead to the rejection of A in front of T. To resolve this contradiction, we show that a nearby gene is a triphosphohydolase specific of dATP (DatZ), that leaves intact all other dNTPs, including dZTP. This explains the absence of A in S-2L genome. Crystal structures of DatZ with various ligands, including one at sub-angstrom resolution, allow to describe its mechanism as a typical two-metal-ion mechanism and to set the stage for its engineering.

scholarly journals Crystal structure of trichlorido(4′-ferrocenyl-2,2′:6′,2′′-terpyridine-κ3N,N′,N′′)iridium(III) acetonitrile disolvate

2015 ◽  
Vol 71 (3) ◽  
pp. m69-m70 ◽  
Author(s):  
Bambar Davaasuren ◽  
Harihara Padhy ◽  
Alexander Rothenberger
Keyword(s):  
Crystal Structure ◽  
Title Compound ◽  
Three Dimensional ◽  
Dimensional Structure ◽  
Three Dimensional Structure ◽  
Ferrocenyl Group ◽  
Distorted Octahedral ◽  
Chloride Ligands ◽  
Solvent Molecules

In the title compound, [FeIr(C5H5)(C20H14N3)Cl3]·2CH3CN, the central IrIIIatom is sixfold coordinated by three chloride ligands and three terpyridine N atoms in a slightly distorted octahedral fashion. The terpyridine ligand is functionalized at the 4′-position with a ferrocenyl group, the latter being in an eclipsed conformation. In the crystal, molecules are stacked in rows parallel to [001], with the acetonitrile solvent molecules situated between the rows. An extensive network of intra- and intermolecular C—H...Cl interactions is present, stabilizing the three-dimensional structure.

Redetermination of trans-diaquabis(picolinato-κ2 N,O)cobalt(II) dihydrate

2006 ◽  
Vol 62 (4) ◽  
pp. m796-m798 ◽  
Author(s):  
Zerrin Heren ◽  
Cem Cüneyt Ersanlı ◽  
Cem Keser ◽  
Nazan Ocak Ískeleli
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Title Compound ◽  
Three Dimensional ◽  
Water Molecules ◽  
Inversion Center ◽  
Hydrogen Bonding Interactions ◽  
Dimensional Network ◽  
Distorted Octahedral

The crystal structure of the title compound, [Co(C6H4NO2)2(H2O)2]·2H2O, has been reinvestigated with improved precision [previous reports: Chang et al. (1972). J. Coord. Chem. 2, 31–34; Lumme et al. (1969). Suom. Kemistil. B, 42, 270]. In the title compound, the Co atom is located on an inversion center and its coordination can be described as slightly distorted octahedral, equatorially trans-coordinated by two N and O atoms of two picolinate ligands and axially coordinated by two O atoms of the water molecules. Intermolecular O—H...O and C—H...O hydrogen-bonding interactions result in the formation of an intricate three-dimensional network.

Tris(glycinato-κ2 N,O)cobalt(III)

2007 ◽  
Vol 63 (3) ◽  
pp. m740-m742 ◽  
Author(s):  
Ke-Qiang Gu ◽  
Yu-Xi Sun ◽  
Ran Zhang ◽  
Nian-Wei Zhang ◽  
Hong-Wen Che
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Three Dimensional ◽  
Dimensional Network ◽  
Mononuclear Cobalt ◽  
Distorted Octahedral ◽  
Octahedral Configuration

The title compound, [Co(C2H4NO2)3], is a mononuclear cobalt(III) complex. The CoIII atom is six-coordinated by three N atoms and three O atoms from three chelating glycinate ligands, forming a slightly distorted octahedral configuration. In the crystal structure, the molecules are linked together by intermolecular N—H...O hydrogen bonds, forming a three-dimensional network.

scholarly journals (E)-4-[(1-Benzyl-4-benzylidene-2,5-dioxopyrrolidin-3-yl)methyl]benzaldehyde 0.25-hydrate

2012 ◽  
Vol 68 (4) ◽  
pp. o1184-o1184 ◽  
Author(s):  
Tao Yu ◽  
Yimin Hu
Keyword(s):  
Crystal Structure ◽  
Water Molecule ◽  
Title Compound ◽  
Crystal Packing ◽  
Membered Ring ◽  
Dihedral Angles ◽  
Inversion Center ◽  
Space Group ◽  
Compound C ◽  
Centrosymmetric Dimers

The crystal structure of the title compound, C26H21NO3·0.25H2O, reveals one stereogenic centre in the molecule. Nevertheless, due to the observed centrosymmetric space group, both enantiomers are present in the crystal packing. The water molecule of crystallisation is located on a crystallographic inversion center. The molecule contains one five-membered ring (A) and three six-membered rings (benzyl ringB, benzylidene ringCand formylbenzyl ringD). All four rings are not coplanar: the dihedral angles between ringsAandB,AandC, andAandDare 70.35 (9), 33.8 (1) and 60.30 (9)°, respectively. In the crystal, pairs of weak C—H...O interactions lead to the formation of centrosymmetric dimers. Additional C—H...O interactions link the dimers into chains along [011].

scholarly journals Crystal structure of the inverse crown ether tetrakis[μ2-bis(trimethylsilyl)amido]-μ4-oxido-dicobalt(II)disodium, [Co2Na2{μ2-N(SiMe3)2}4](μ4-O)

2016 ◽  
Vol 72 (6) ◽  
pp. 780-784 ◽  
Author(s):  
Christopher B. Hansen ◽  
Alexander S. Filatov ◽  
Gregory L. Hillhouse
Keyword(s):  
Crystal Structure ◽  
Crown Ether ◽  
Oxidation State ◽  
Crown Ethers ◽  
Title Compound ◽  
Infinite Chain ◽  
Inversion Center ◽  
Asymmetric Unit ◽  
New Entry

The title compound, [Co2Na2{μ2-N(SiMe3)2}4](μ4-O), (I), represents a new entry in the class of inverse crown ethers. In the molecule, each Co atom is formally in the oxidation state +II. The structure contains one half of a unique molecule per asymmetric unit with the central μ4-oxido ligand residing on an inversion center, leading to a planar coordination to the Na and Co atoms. In the crystal, bulky trimethylsilyl substituents prevent additional interactions with cobalt. However, weak intermolecular Na...H3C—Si interactions form an infinite chain along [010]. The structure is isotypic with its Mg, Mn and Zn analogues.

scholarly journals Crystal structure of chlorido(dimethyl sulfoxide-κS)bis[4-(pyridin-2-yl)benzaldehyde-κ3C2,N]iridium(III) acetonitrile monosolvate

2017 ◽  
Vol 73 (9) ◽  
pp. 1279-1281 ◽  
Author(s):  
Andrew J. Peloquin ◽  
Madelyn B. Smith ◽  
Gary J. Balaich ◽  
Scott T. Iacono
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Dimethyl Sulfoxide ◽  
Coordination Sphere ◽  
Title Compound ◽  
Octahedral Coordination ◽  
Distorted Octahedral Coordination ◽  
Hydrogen Bonding Interactions ◽  
Distorted Octahedral ◽  
Chloride Ligand

The title compound, [IrCl(C12H8NO)2{(CH3)2SO}]·H3CCN or [IrCl(fppy)2(DMSO)]·H3CCN [where fppy is 4-(pyridin-2-yl)benzaldehyde and DMSO is dimethyl sulfoxide], is a mononuclear iridium(III) complex including two fppy ligands, a sulfur-coordinating DMSO ligand, and one terminal chloride ligand that define a distorted octahedral coordination sphere. The complex crystallizes from 1:1 DMSO–acetonitrile as an acetonitrile solvate. In the crystal, weak C—H...O and C—H...N hydrogen-bonding interactions between adjacent complexes and between the acetonitrile solvent and the complex consolidate the packing.

scholarly journals 9-(Dicyanomethylidene)fluorene–tetrathiafulvalene (1/1)

2012 ◽  
Vol 68 (4) ◽  
pp. o932-o932 ◽  
Author(s):  
Amparo Salmerón-Valverde ◽  
Sylvain Bernès
Keyword(s):  
Crystal Structure ◽  
Charge Transfer ◽  
Title Compound ◽  
Ring System ◽  
Stacking Interactions ◽  
Inversion Center ◽  
Organic Complex ◽  
Compound C ◽  
Fluorene Derivative ◽  
The Mean

The title compound, C16H8N2·C6H4S4, crystallizes with the fluorene derivative placed in a general position and two half tetrathiafulvalene (TTF) molecules, each completed to a whole molecule through an inversion center. The fluorene ring system is virtually planar (r.m.s. deviation from the mean plane = 0.027 Å) and the dicyano group is twisted from the fluorene plane by only 3.85 (12)°. The TTF molecules are also planar, and their central C=C bond lengths [1.351 (8) and 1.324 (7) Å] compare well with the same bond length in neutral TTF (ca1.35 Å). These features indicate that no charge transfer occurs between molecules in the crystal; the compound should thus be considered a cocrystal rather than an organic complex. This is confirmed by the crystal structure, in which no significant stacking interactions are observed between molecules.

scholarly journals Dibromido(dimethyl sulfoxide-κO)(6-methyl-2,2′-bipyridine-κ2N,N′)cadmium

2012 ◽  
Vol 68 (8) ◽  
pp. m1124-m1124 ◽  
Author(s):  
Sadif A. Shirvan ◽  
Sara Haydari Dezfuli
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Dimethyl Sulfoxide ◽  
Title Compound ◽  
Trigonal Bipyramidal Geometry ◽  
Trigonal Bipyramidal ◽  
Bipyridine Ligand ◽  
Distorted Trigonal Bipyramidal

In the title compound, [CdBr2(C11H10N2)(C2H6OS)], the CdIIatom is five-coordinated in a distorted trigonal–bipyramidal geometry by two N atoms from a 6-methyl-2,2′-bipyridine ligand, one O atom from a dimethyl sulfoxide ligand and two Br atoms. An intramolecular C—H...O hydrogen bond occurs. The crystal structure is stabilized by C—H...Br hydrogen bonds and π–π contacts between the pyridine rings [centroid–centroid distances = 3.582 (5) and 3.582 (5) Å].

catena-Poly[[dichlorozinc(II)]-μ-1,2-di-4-pyridylethylene-κ2 N:N′]

2007 ◽  
Vol 63 (3) ◽  
pp. m717-m718 ◽  
Author(s):  
Chuang-Ye Qin ◽  
Jing-Wei Xu
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Title Compound ◽  
Polymeric Chain ◽  
Coordination Geometry ◽  
Inversion Center ◽  
Tetrahedral Coordination

In the title compound, [ZnCl2(C12H10N2)] n , the ZnII ion displays a tetrahedral coordination geometry. Each 1,2-di-4-pyridylethylene ligand is located on an inversion center and bridges ZnII ions, forming a zigzag polymeric chain. Weak C—H...Cl hydrogen bonding is observed in the crystal structure.

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