scholarly journals (μ-Acetato-κ2O:O′)[μ-2,6-bis({bis[(pyridin-2-yl-κN)methyl]amino-κN}methyl)-4-methylphenolato-κ2O:O](methanol-κO)dizinc bis(perchlorate)

2014 ◽  
Vol 70 (4) ◽  
pp. m120-m121
Author(s):  
Biswanath Das ◽  
Matti Haukka ◽  
Ebbe Nordlander
Keyword(s):  
Hydrogen Bond ◽  
Solvent Molecule ◽  
Title Complex ◽  
Acetate Group ◽  
Counter Anion ◽  
Present Structure ◽  
Octadentate Ligand

The binuclear title complex, [Zn2(C33H33N6O)(CH3COO2)(CH3OH)](ClO4)2, was synthesized by the reaction between 2,6-bis({[bis(pyridin-2-yl)methyl]amino}methyl)-4-methylphenol (H-BPMP), Zn(OAc)2and NaClO4. The two ZnIIions are bridged by the phenolate O atom of the octadentate ligand and the acetate group. An additional methanol ligand is terminally coordinated to one of the ZnIIions, rendering the whole structure unsymmetric. Other symmetric dizinc complexes of BPMP have been reported. However, to the best of our knowledge, the present structure, in which the two ZnIIions are distinguishable by the number of coordinating ligands and the coordination geometries (octahedral and square-pyramidal), is unique. The dizinc complex is a dication, and two perchlorate anions balance the charge. The –OH group of the coordinating methanol solvent molecule forms a hydrogen bond with a perchlorate counter-anion. One of the anions is disordered over two sets of sites with an occupancy ratio of 0.734 (2):0.266 (2).

scholarly journals Dichlorido(5,10,15,20-tetraphenylporphyrinato-κ4 N)antimony(V) hemi{di-μ-chlorido-bis[trichloridoantimonate(III)]} dichloromethane monosolvate

2012 ◽  
Vol 68 (6) ◽  
pp. m717-m718 ◽  
Author(s):  
Raoudha Soury ◽  
Mohamed Sahah Belkhiria ◽  
Habib Nasri ◽  
Masood Parvez
Keyword(s):  
Complex Cation ◽  
Solvent Molecule ◽  
Chloride Ions ◽  
Title Complex ◽  
Inversion Center ◽  
Asymmetric Unit ◽  
Counter Anion ◽  
Wide Range ◽  
Solvent Molecules ◽  
Cl Atoms

The asymmetric unit of the title complex, [Sb(C44H28N4)Cl2][Sb2Cl8]0.5·CH2Cl2, is composed of a SbV complex cation wherein the Sb atom is hexacoordinated by four N atoms of the pyrrole rings of the tetraphenylporphyrinate (TPP) ligands and two chloride ions, a half di-μ-chlorido-bis[trichloridoantimonate(III)] counter-anion and a dichloromethane solvent molecule. In the cation, the average Sb—N distance is 2.066 (2) Å, while the Sb—Cl distances are 2.3410 (11) and 2.3639 (12) Å. The central unit of the cation, SbN4C20, is far from being planar, with deviations of atoms from the least-squares plane ranging from −0.110 (4) to 0.124 (4) Å. The Sb—Cl distances in the anion, which is located about an inversion center, lie in the wide range 2.3715 (13)–2.7489 (13) Å, the longest distances being between the Sb and bridging Cl atoms. The crystal structure is stabilized by intermolecular C—H...Cl interactions involving the cations, the anions and the solvent molecules. The solvent molecule is disordered over two orientations in a 0.901 (13):0.099 (13) ratio.

scholarly journals Synthesis and crystal structure of [Zn6Br4(C9H18NO)4(OH)4]·2C3H6O2

2020 ◽  
Vol 76 (7) ◽  
pp. 998-1002
Author(s):  
Rebecca Scheel ◽  
Lukas Brieger ◽  
Kathrin Louven ◽  
Carsten Strohmann
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Solvent Molecule ◽  
Hirshfeld Surface ◽  
Title Complex ◽  
The Other ◽  
Tetrahedral Coordination ◽  
Synthesis And Crystal Structure ◽  
Alkoxide Ligands

The complete molecule of the hexametallic title complex, namely, tetrabromidotetra-μ-hydroxido-hexakis[μ-2-methyl-3-(pyrrolidin-1-yl)propan-2-olato]hexazinc(II) acetone disolvate, [Zn6Br4(C9H18NO)4(OH)4]·2C3H6O2, is generated by a crystallographic centre of symmetry. Two of the unique zinc atoms adopt distorted ZnO2NBr tetrahedral coordination geometries and the other adopts a ZnO3N tetrahedral arrangement. Both unique alkoxide ligands are N,O-chelating and both hydroxide ions are μ2 bridging. The crystal structure displays an O—H...O hydrogen bond between a μ2-OH group and an acetone solvent molecule. The Hirshfeld surface has been calculated and is described.

scholarly journals Crystal structure of (μ-4-hydroxybenzenethiolato-κ2S:S)bis(μ-phenylmethanethiolato-κ2S:S)bis[(η6-1-isopropyl-4-methylbenzene)ruthenium(II)] tetrafluoridoborate

2015 ◽  
Vol 71 (10) ◽  
pp. 1174-1176
Author(s):  
David Stíbal ◽  
Georg Süss-Fink ◽  
Bruno Therrien
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Title Complex ◽  
Dinuclear Complexes ◽  
Coordination Geometry ◽  
Counter Anion ◽  
X Ray ◽  
Coordination Sites

The crystal structure of the dinuclear arene ruthenium title complex, [Ru2(C6H5OS)(C7H7S)2(C10H14)2]BF4, shows the two RuIIatoms to be bridged by two benzylthiophenolate units and one 4-hydroxythiophenolate unit, with the remaining three coordination sites of each RuIIatom being occupied byp-cymene ligands, completing the typical piano-stool coordination geometry. The BF4−counter-anion is surrounded by four cationic dinuclear complexes, showing an O—H...F hydrogen bond and several weak C—H...F interactions. This is the first example of an X-ray analysis of a mixed dinuclear trithiolate arene ruthenium(II) complex.

scholarly journals Bis[2-(2-hydroxymethyl)pyridine-κ2N,O](pivalato-κO)copper(II)

2012 ◽  
Vol 68 (8) ◽  
pp. m1055-m1055 ◽  
Author(s):  
M. Mobin Shaikh ◽  
Veenu Mishra ◽  
Priti Ram ◽  
Anil Birla
Keyword(s):  
Hydrogen Bond ◽  
Crystal Packing ◽  
Octahedral Geometry ◽  
Title Complex ◽  
Distorted Octahedral Geometry ◽  
Pyridine Ligands ◽  
Hydrogen Bond Interactions ◽  
Distorted Octahedral

The structure of the centrosymmetric title complex, [Cu(C5H9O2)2(C6H7NO)2], has the CuIIatom on a centre of inversion. The CuIIatom is six-coordinate with a distorted octahedral geometry, defined by the N and O atoms of the chelating 2-(2-hydroxymethyl)pyridine ligands and two carboxylate O atoms from two monodentate pivalate ions. The crystal packing is stabilized by intermolecular C—H...O and intramolecular O—H...O hydrogen-bond interactions.

Novel pseudopolymorph of the active metabolite of perindopril

2012 ◽  
Vol 68 (9) ◽  
pp. o341-o343 ◽  
Author(s):  
Joanna Bojarska ◽  
Waldemar Maniukiewicz ◽  
Lesław Sieroń ◽  
Andrzej Fruziński ◽  
Piotr Kopczacki ◽  
...  
Keyword(s):  
Hydrogen Bond ◽  
Dimethyl Sulfoxide ◽  
Active Metabolite ◽  
Alkyl Chain ◽  
Solvent Molecule ◽  
Carboxylate Group ◽  
X Ray Diffraction ◽  
Structural Units ◽  
X Ray ◽  
Zwitterionic Form

The dimethyl sulfoxide hemisolvate of perindoprilat [systematic name: (1S)-2-((S)-{1-[(2S,3aS,7aS)-2-carboxyoctahydro-1H-indol-1-yl]-1-oxopropan-2-yl}azaniumyl)pentanoate dimethyl sulfoxide hemisolvate], C17H28N2O5·0.5C2H6OS, an active metabolite of perindopril, has been synthesized, structurally characterized by single-crystal X-ray diffraction and compared with its ethanol disolvate analogue [Pascardet al.(1991).J. Med. Chem.34, 663–669]. Both compounds crystallize in the orthorhombicP212121space group in the same zwitterionic form, with a protonated alanine N atom and an anionic carboxylate group at then-alkyl chain. The three structural units present in the unit cell (two zwitterions and the solvent molecule) are held together by a rich system of O—H...O, N—H...O and C—H...O hydrogen-bond contacts.

scholarly journals (Z)-3-[2-(2,4-Dinitrophenyl)hydrazin-1-ylidene]isobenzofuran-1(3H)-one dichloromethane hemisolvate

2014 ◽  
Vol 70 (4) ◽  
pp. o418-o418
Author(s):  
Palak Agarwal ◽  
Pragati Mishra ◽  
Nikita Gupta ◽  
Neelam ◽  
Priyaranjan Sahoo ◽  
...  
Keyword(s):  
Hydrogen Bond ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Crystal Packing ◽  
Halogen Bond ◽  
Solvent Molecule ◽  
Twofold Axis ◽  
Bond Interaction ◽  
The Mean

In the title compound, 2C14H8N4O6·CH2Cl2, the dichloromethane solvent molecule resides on a crystallographic twofold axis. The mean plane of the phthalisoimide ring is oriented at a dihedral angle of 32.93 (12)° with respect to the nitro-substituted benzene ring. An intramolecular N—H...O hydrogen bond occurs. The crystal packing features a short Cl...O halogen-bond interaction [3.093 (3) Å].

scholarly journals (2,3-Di-2-pyridylpyrazine-κ2 N 2,N 3)diiodidoplatinum(II)

2012 ◽  
Vol 68 (6) ◽  
pp. m834-m834 ◽  
Author(s):  
Kwang Ha
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Least Squares ◽  
Dihedral Angle ◽  
Layer Structure ◽  
Title Complex ◽  
Maximum Deviation ◽  
Hydrogen Bond Acceptor ◽  
Pyrazine Ring ◽  
Square Planar

The PtII ion in the title complex, [PtI2(C14H10N4)], exists in a distorted square-planar environment defined by the two pyridine N atoms of the chelating 2,3-di-2-pyridylpyrazine ligand and two iodide anions. The pyridine rings are inclined to the least-squares plane of the PtI2N2 unit [maximum deviation = 0.070 (3) Å] at 66.1 (2) and 65.9 (2)°; the pyrazine ring is perpendicular to this plane [dihedral angle = 89.7 (2)°]. Two intermolecular C—H...I hydrogen bonds, both involving the same I atom as hydrogen-bond acceptor, generate a layer structure extending parallel to (001). Molecules are stacked in columns along the a axis. Along the b axis, successive molecules stack in opposite directions.

scholarly journals Bis[tetrakis(pyridin-2-yl)methane-κ3N,N′,N′′]cobalt(II) tetrakis(thiocyanato-κN)cobaltate(II) methanol monosolvate

2014 ◽  
Vol 70 (3) ◽  
pp. m96-m97 ◽  
Author(s):  
Yuya Tsunezumi ◽  
Kouzou Matsumoto ◽  
Shinya Hayami ◽  
Akira Fuyuhiro ◽  
Satoshi Kawata
Keyword(s):  
Complex Anion ◽  
Complex Cation ◽  
Solvent Molecule ◽  
Octahedral Geometry ◽  
Title Complex ◽  
Distorted Octahedral Geometry ◽  
Weak Hydrogen Bond ◽  
Tetrahedral Geometry ◽  
Distorted Tetrahedral Geometry ◽  
Distorted Octahedral

The title complex, [Co(C21H16N4)2][Co(NCS)4]·CH3OH, consists of one [Co{C(py)4}2]2+complex cation [C(py)4= tetrakis(pyridin-2-yl)methane], one [Co(NCS)4]2−complex anion and a methanol solvent molecule. In the cation, the CoIIatom is coordinated by six N atoms of two C(py)4ligands in a distorted octahedral geometry. In the anion, the CoIIatom is coordinated by the N atoms of four NCS−ligands in a distorted tetrahedral geometry. The methanol molecule is disordered and was modelled over three orientations (occupancies 0.8:0.1:0.1). There are two weak hydrogen-bond-like interactions between the methanol solvent molecule and NCS−ligands of the anion [O...S = 3.283 (3) and 3.170 (2) Å].

(Hexafluorosilicato-κ2F,F′)bis(1,10-phenanthroline-κ2N,N′)zinc(II) methanol monosolvate

2013 ◽  
Vol 69 (10) ◽  
pp. 1112-1115 ◽  
Author(s):  
Rüdiger W. Seidel ◽  
Christina Dietz ◽  
Jürgen Breidung ◽  
Richard Goddard ◽  
Iris M. Oppel
Keyword(s):  
Density Functional ◽  
Crystal Packing ◽  
Point Group ◽  
Solvent Molecule ◽  
Title Complex ◽  
Group Symmetry ◽  
Density Functional Theory Study ◽  
Functional Theory ◽  
Distorted Octahedral Coordination ◽  
Distorted Octahedral

The title compound, [Zn(SiF6)(C12H8N2)2]·CH3OH, contains a neutral heteroleptic tris-chelate ZnIIcomplex,viz.[Zn(SiF6)(phen)2] (phen is 1,10-phenanthroline), exhibiting approximate molecularC2point-group symmetry. The ZnIIcation adopts a severely distorted octahedral coordination. As far as can be ascertained, the title complex represents the first structurally characterized example of a ZnIIcomplex bearing a bidentate-bound hexafluorosilicate ligand. A density functional theory study of the isolated [Zn(SiF6)(phen)2] complex was undertaken to reveal the influence of crystal packing on the molecular structure of the complex. In the crystal structure, the methanol solvent molecule forms a hydrogen bond to one F atom of the hexafluorosilicate ligand. The hydrogen-bonded assemblies so formed are tightly packed in the crystal, as indicated by a high packing coefficient (74.1%).

scholarly journals Stereochemistry of the methylidene-bridged quinazoline-isoquinoline alkaloid 3-{[6,7-dimethoxy-1-(4-nitrophenyl)-1,2,3,4-tetrahydroisoquinolin-2-yl]methylidene}-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-9-one methanol monosolvate

2020 ◽  
Vol 76 (6) ◽  
pp. 914-919
Author(s):  
Akmal Tojiboev ◽  
Sherzod Zhurakulov ◽  
Valentina Vinogradova ◽  
Ulli Englert ◽  
Ruimin Wang
Keyword(s):  
Hydrogen Bond ◽  
Double Bond ◽  
Solvent Molecule ◽  
Isoquinoline Alkaloid ◽  
Target Product ◽  
Quinazoline Derivative

Two potentially bioactive fragments, namely a tricyclic quinazoline derivative with an exocyclic alkene moiety and a substituted isoquinoline, are coupled to give 3-{[6,7-dimethoxy-1-(4-nitrophenyl)-1,2,3,4-tetrahydroisoquinolin-2-yl]methylidene}-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-9-one. The target product crystallizes as a methanol solvate, C29H26N4O5·CH4O, and is E configured. The alternative Z isomer would necessarily imply either considerable twist about the central double bond or very unfavourable intramolecular contacts between sterically more demanding substituents. The main residue and the co-crystallized solvent molecule aggregate to discrete pairs via a classical O—H...O hydrogen bond with a distance of 2.8581 (7) Å between the methanol OH donor and the quinazolinone O=C acceptor.

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