[Nb6Cl12(HIm)6](OAc)2·3MeOH – a hydrogen-bonded network of niobium cluster cations, acetate anions and methanol molecules

2019 ◽  
Vol 74 (10) ◽  
pp. 751-755
Author(s):  
Eric Sperlich ◽  
Martin Köckerling
Keyword(s):  
Hydrogen Bonds ◽  
Acetic Anhydride ◽  
Title Compound ◽  
Cluster Compound ◽  
Dehydration Reaction ◽  
Coulomb Interactions ◽  
One Pot ◽  
Cluster Precursor ◽  
Additional Hydrogen ◽  
Hydrogen Bonded

AbstractThe new cluster compound [Nb6Cl12(HIm)6](OAc)2 · 3MeOH represents the first example of network compounds consisting of hexanuclear niobium cluster cations and acetate anions, which are connected though hydrogen bonds (besides Coulomb interactions). Hydrogen-bonded cation-anion pairs form chains, which are further extended to sheets by additional hydrogen bonds to co-crystallized methanol molecules. The synthesis of the title compound is based on a one-pot dehydration reaction of the cluster precursor [Nb6Cl14(H2O)4] · 4H2O with acetic anhydride in the presence of imidazole at T = 40°C.

scholarly journals (C7H6NS)2[Nb6Cl18]·2C4H8O: first niobium cluster with an N,S-heterocyclic cation

IUCrData ◽  
2018 ◽  
Vol 3 (12) ◽  
Author(s):  
Eric Sperlich ◽  
Martin Köckerling
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Room Temperature ◽  
High Yield ◽  
Cluster Compound ◽  
One Pot ◽  
Cluster Precursor ◽  
Acidic Proton ◽  
Very High

The title compound bis(benzothiazolium) dodeca-μ-chlorido-hexachlorido-octahedro-hexaniobium(12 Nb—Nb) tetrahydrofuran disolvate, (C7H6NS)2[Nb6Cl18]·2C4H8O or (HBTh)2[Nb6Cl18]·2THF, is the first known niobium cluster compound to contain an N,S-heterocyclic cation. The synthesis takes place within a few hours as an one-pot reaction at room temperature of the cluster precursor compound [Nb6Cl14(H2O)4]·4H2O with SOCl2 in the presence of BTh (benzothiazole) in very high yield. The stabilization of the acidic proton of the cation is achieved by the use of tetrahydrofuran as a co-solvent and by the formation of hydrogen bonds.

scholarly journals Di-μ-chlorido-bis[(2,2′-bipyridine-5,5′-dicarboxylic acid-κ2N,N′)chloridocopper(II)] dimethylformamide tetrasolvate

2013 ◽  
Vol 69 (2) ◽  
pp. m73-m74 ◽  
Author(s):  
Sigurd Øien ◽  
David Stephen Wragg ◽  
Karl Petter Lillerud ◽  
Mats Tilset
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Cooh Group ◽  
Stacking Interactions ◽  
Coordination Geometry ◽  
Complex Molecules ◽  
Centroid Distance ◽  
Solvent Molecules ◽  
Hydrogen Bonded

In the title compound, [Cu2Cl4(C12H8N2O4)2]·4C3H7NO, which contains a chloride-bridged centrosymmetric CuIIdimer, the CuIIatom is in a distorted square-pyramidal 4 + 1 coordination geometry defined by the N atoms of the chelating 2,2′-bipyridine ligand, a terminal chloride and two bridging chloride ligands. Of the two independent dimethylformamide molecules, one is hydrogen bonded to a single –COOH group, while one links two adjacent –COOH groupsviaa strong accepted O—H...O and a weak donated C(O)—H...O hydrogen bond. Two of these last molecules and the two –COOH groups form a centrosymmetric hydrogen-bonded ring in which the CH=O and the –COOH groups by disorder adopt two alternate orientations in a 0.44:0.56 ratio. These hydrogen bonds link the CuIIcomplex molecules and the dimethylformamide solvent molecules into infinite chains along [-111]. Slipped π–π stacking interactions between two centrosymmetric pyridine rings (centroid–centroid distance = 3.63 Å) contribute to the coherence of the structure along [0-11].

scholarly journals Crystal structure ofcatena-poly[[[bis(pyridine-4-carbothioamide-κN1)cadmium]-di-μ-thiocyanato-κ2N:S;κ2S:N] methanol disolvate]

2016 ◽  
Vol 72 (3) ◽  
pp. 370-373 ◽  
Author(s):  
Tristan Neumann ◽  
Inke Jess ◽  
Christian Näther
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Methanol Molecule ◽  
Donor Group ◽  
Asymmetric Unit ◽  
Thiocyanate Anion ◽  
Anionic Ligands ◽  
Hydrogen Bonded

The asymmetric unit of the polymeric title compound, {[Cd(NCS)2(C6H6N2S)]·2CH3OH}n, consists of one cadmium(II) cation that is located on a centre of inversion as well as one thiocyanate anion, one pyridine-4-carbothioamide ligand and one methanol molecule in general positions. The CdIIcations are octahedrally coordinated by the pyridine N atom of two pyridine-4-carbothioamide ligands and by the S and N atoms of four thiocyanate anions and are linked into chains along [010] by pairs of anionic ligands. These chains are further linked into layers extending along (201) by intermolecular N—H...O and O—H...S hydrogen bonds. One of the amino H atoms of the pyridine-4-carbothioamide ligand is hydrogen-bonded to the O atom of a methanol molecule, and a symmetry-related methanol molecule is the donor group to the S atom of another pyridine-4-carbothioamide ligand whereby each of the pyridine-4-carbothioamide ligands forms two pairs of centrosymmetric N—H...S and O—H...S hydrogen bonds. The methanol molecules are equally disordered over two orientations.

trans-Diaquabis(N,N′-dimethylethylenediamine)nickel(II) naphthalene-2,6-disulfonate

2007 ◽  
Vol 63 (3) ◽  
pp. m734-m736 ◽  
Author(s):  
Zhao-Xun Lian ◽  
Hao-Hong Li
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Metal Center ◽  
Octahedral Coordination ◽  
Coordination Geometry ◽  
Two Dimensional ◽  
Inversion Center ◽  
Hydrogen Bonded

In the title compound, [Ni(C8H12N2)2(H2O)2](C10H6O6S2), the metal center, located on a crystallographic inversion center, is coordinated by four N atoms and two aqua ligands in an octahedral coordination geometry. The hexacoordinated nickel(II) complex cations are held together via N—H...O and O—H...O hydrogen bonds, resulting in infinite chains, which are connected by centrosymmetric naphthalene-2,6-disulfonate ligands as linkers, generating a two-dimensional hydrogen-bonded network.

scholarly journals N-(4-Methylbenzyl)-3-nitroaniline

2012 ◽  
Vol 68 (6) ◽  
pp. o1967-o1967
Author(s):  
Marijana Đaković ◽  
Tomislav Portada ◽  
Tin Klačić
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Compound C ◽  
The Mean ◽  
Hydrogen Bonded

In the title compound, C14H14N2O2, the angle between the mean plane of the N-methyl-3-nitroaniline system (r.m.s. deviation = 0.0185 Å) and the p-tolyl unit is 89.79 (4)°. In the crystal, hydrogen-bonded chains running along [10-1] are generated by the linking of neighbouring molecules via N—H...O and C—H...O hydrogen bonds involving the 3-nitroaniline systems and forming R 2 2(8) motifs.

scholarly journals Crystal structure of (15,20-bis(2,3,4,5,6-pentafluorophenyl)-5,10-{(pyridine-3,5-diyl)bis[(sulfanediylmethylene)[1,1′-biphenyl]-4′,2-diyl]}porphyrinato)nickel(II) dichloromethane x-solvate (x > 1/2) showing a rare CN5 coordination

2019 ◽  
Vol 75 (8) ◽  
pp. 1180-1184 ◽  
Author(s):  
Florian Gutzeit ◽  
Christian Näther ◽  
Rainer Herges
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Apical Position ◽  
Acta Cryst ◽  
Solvent Molecules ◽  
Hydrogen Bonded

The crystal structure of the title compound, [Ni(C63H31F10N5S2)]·xCH2Cl2 (x > 1/2), consists of Ni–porphyrin complexes that are located in general positions and dichloromethane solvent molecules that are disordered around centers of inversion. The NiII ions are in a square-pyramidal (CN5) coordination, with four porphyrin N atoms in the equatorial and a pyridine N atom in the apical position and are shifted out of the porphyrine N4 plane towards the coordinating pyridine N atom. The pyridine substituent is not exactly perpendicular to the N4 plane with an angle of intersection between the planes planes of 80.48 (6)°. The dichloromethane solvent molecules are hydrogen bonded to one of the four porphyrine N atoms. Two complexes are linked into dimers by two symmetry-equivalent C—H...S hydrogen bonds. These dimers are closely packed, leading to cavities in which additional dichloromethane solvent molecules are embedded. These solvent molecules are disordered and because no reasonable split model was found, the data were corrected for disordered solvent using the PLATON SQUEEZE routine [Spek (2015). Acta Cryst. C71, 9–18].

6,7,8,9-Tetrahydro-5H-pyrido[2,3-b]azepine-5,8-dione: a hydrogen-bonded dimer structure

2006 ◽  
Vol 62 (7) ◽  
pp. o2918-o2919
Author(s):  
Xiao-Dan Gu ◽  
Fu-Hui Zhou ◽  
Hua Zhou ◽  
Jing-Wei Xu ◽  
Jian-Cheng Deng
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Dimer Structure ◽  
Compound C ◽  
Independent Molecules ◽  
Hydrogen Bonded

In the title compound, C9H8N2O2, two crystallographically independent molecules form a dimer structure, in which two N—H...N hydrogen bonds generate an intermolecular R 2 2(8) ring.

2-Ethyl-1-[5-(4-methylphenyl)pyrazol-3-yl]-3-(thiophene-2-carbonyl)isothiourea: molecular ribbons containing three types of hydrogen-bonded ring

2014 ◽  
Vol 70 (11) ◽  
pp. 1064-1068
Author(s):  
Edison Castro ◽  
Henry Insuasty ◽  
Braulio Insuasty ◽  
Justo Cobo ◽  
Christopher Glidewell
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Microwave Irradiation ◽  
Title Compound ◽  
Pyrazole Ring ◽  
Solvent Free ◽  
Compound C ◽  
Solvent Free Conditions ◽  
Hydrogen Bonded

The title compound, C18H18N4OS2, was prepared by reaction ofS,S-diethyl 2-thenoylimidodithiocarbonate with 5-amino-3-(4-methylphenyl)-1H-pyrazole using microwave irradiation under solvent-free conditions. In the molecule, the thiophene unit is disordered over two sets of atomic sites, with occupancies of 0.814 (4) and 0.186 (4), and the bonded distances provide evidence for polarization in the acylthiourea fragment and for aromatic type delocalization in the pyrazole ring. An intramolecular N—H...O hydrogen bond is present, forming anS(6) motif, and molecules are linked by N—H...O and N—H...N hydrogen bonds to form a ribbon in which centrosymmetricR22(4) rings, built from N—H...O hydrogen bonds and flanked by inversion-related pairs ofS(6) rings, alternate with centrosymmetricR22(6) rings built from N—H...N hydrogen bonds.

A 2:1 cocrystal of 2,3-bis(4-bromophenyl)quinoxaline and 1,2-bis(4-bromophenyl)ethane-1,2-diol

2006 ◽  
Vol 62 (5) ◽  
pp. o1959-o1960 ◽  
Author(s):  
Liang-Ce Rong ◽  
Xiao-Yue Li ◽  
Chang-Sheng Yao ◽  
Hai-Ying Wang ◽  
Da-Qing Shi
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
One Pot ◽  
X Ray ◽  
Π Interactions ◽  
Compound C ◽  
Low Valent ◽  
The One

The title compound, C20H12Br2N2·0.5C14H12Br2O2, was synthesized by the one-pot reaction of benzofurazan oxide and 1,2-bis(4-bromophenyl)ethane-1,2-dione induced by a low-valent titanium reagent. X-ray analysis reveals that the 1,2-bis(4-bromophenyl)ethane-1,2-diol molecule is located on an inversion centre. The molecules are linked via O—H...N hydrogen bonds and C—H...π interactions.

scholarly journals Bis(2-amino-4-phenyl-1,3-thiazol-3-ium) tetrachloridopalladate(II)

2014 ◽  
Vol 70 (8) ◽  
pp. m295-m295 ◽  
Author(s):  
Reyna Reyes-Martínez ◽  
Rubén M. Carballo ◽  
Gonzalo J. Mena-Rejón ◽  
Simón Hernández-Ortega ◽  
David Cáceres-Castillo
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Organic Molecules ◽  
Planar Geometry ◽  
Compound C ◽  
Square Planar ◽  
Anions And Cations ◽  
Hydrogen Bonded

The title compound, (C9H9N2S)2[PdCl4], consists of two monoprotonated 2-amino-4-phenyl-1,3-thiazole molecules and one tetrachloridopalladate anion. The organic molecules exhibit a dihedral angle between the main rings planes of 31.82 (9)°. In the anion, the PdIIatom is located on a crystallographic centre of symmetry with a square-planar geometry. In the crystal, the anions and cations are connected through bifurcated N—H...Cl hydrogen bonds, and these interactions lead to hydrogen-bonded tapes of cations and anions along [100].

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