scholarly journals [6,6′-Bis(1,1-dimethylethyl)-4,4′-dimethyl-2,2′-methylenediphenolato-κ2O,O′]dichlorido(9H-fluoren-9-ol-κO)titanium(IV)–fluorene–diethyl ether (1/0.5/1)

2013 ◽  
Vol 69 (12) ◽  
pp. m673-m674
Author(s):  
Alastair J. Nielson ◽  
Chaohong Shen ◽  
Joyce M. Waters
Keyword(s):  
Hydroxy Group ◽  
Coordination Sphere ◽  
Diethyl Ether ◽  
Title Compound ◽  
Solvent Molecule ◽  
The Other ◽  
Chloride Ligands ◽  
Apical Site ◽  
Ether Molecule ◽  
Hydrogen Bonded

The title adduct, [TiCl2(C23H30O2)(C13H10O]·0.5C13H10·C4H10O, is a monomer with a trigonal–bypyramidal coordination sphere of the TiIVatom in which the ligand O atoms of the bidentate diphenolate anion are located in both apical and equatorial positions. Chloride ligands occupy the remaining two equatorial sites of the trigonal bypyramid with the fluoren-9-ol O atom occupying the other apical site. The hydroxy group H atom of this latter group is hydrogen bonded to an O atom of a non-coordinating diethyl ether molecule. The title compound also contains a further fluorene solvent molecule, which lies across a centre of symmetry and which is equally disordered over an inversion centre.

scholarly journals Crystal structure of (diethyl ether-κO)[5,10,15,20-tetrakis(2-isothiocyanatophenyl)porphyrinato-κ4 N]zinc diethyl ether solvate

2018 ◽  
Vol 74 (11) ◽  
pp. 1609-1612 ◽  
Author(s):  
Lisa Leben ◽  
Eike Schaub ◽  
Christian Näther ◽  
Rainer Herges
Keyword(s):  
Crystal Structure ◽  
Diethyl Ether ◽  
Metal Cation ◽  
Title Compound ◽  
Rotation Axis ◽  
Solvent Molecule ◽  
Apical Position ◽  
Picket Fence ◽  
Ether Molecule ◽  
Porphyrin Moiety

The crystal structure of the title compound, [Zn(C48H24N8S4)(C4H10O)]·C4H10O, consists of discrete porphyrin complexes that are located on a twofold rotation axis. The ZnII cation is fivefold coordinated by four N atoms of the porphyrin moiety and one O atom of a diethyl ether molecule in a slightly distorted square-pyramidal environment with the diethyl ether molecule in the apical position. The porphyrin backbone is nearly planar with the metal cation slightly shifted out of the plane towards the coordinating diethyl ether molecule. All four isothiocyanato groups of the phenyl substituents at the meso-positions face the same side of the porphyrin, as is characteristic for picket fence porphyrins. In the crystal structure, the discrete porphyrin complexes are arranged in such a way that cavities are formed in which additional diethyl ether solvate molecules are located around a twofold rotation axis. The O atom of the solvent molecule is not positioned exactly on the twofold rotation axis, thus making the whole molecule equally disordered over two symmetry-related positions.

scholarly journals Triaqua-1κO,2κ2 O-bis(2,2′-bipyridine)-1κ2 N,N′;2κ2 N,N′-chlorido-1κCl-μ-terephthalato-1:2κ2 O 1:O 4-dicopper(II) nitrate monohydrate

2012 ◽  
Vol 68 (6) ◽  
pp. m746-m747
Author(s):  
Yang Liu ◽  
Yong-Lan Feng ◽  
Dai-Zhi Kuang
Keyword(s):  
Water Molecule ◽  
Title Compound ◽  
Three Dimensional ◽  
The Other ◽  
Apical Position ◽  
Coordination Environment ◽  
Dimensional Network ◽  
Chloride Ligand ◽  
Hydrogen Bonded

In the binuclear title compound, [Cu2(C8H4O4)Cl(C10H8N2)2(H2O)3]NO3·H2O, the two crystallographically independent CuII ions have similar coordination environments. One of the CuII ions has a square-pyramidal arrangement, which is defined by a water molecule occupying the apical position, with the equatorial ligators consisting of two N atoms from a 2,2′-bipyridine molecule, one carboxylate O atom from a terephthalate ligand and one O atom from a water molecule. The other CuII ion has a similar coordination environment, except that the apical position is occupied by a chloride ligand instead of a water molecule. An O—H...O and O—H...Cl hydrogen-bonded three-dimensional network is formed between the components.

scholarly journals Di-μ-chlorido-bis({4-[bis(trimethylsilyl)amino]-6-chloro-2,2,8,8-tetramethyl-5,7-bis(trimethylsilyl)-3,5,7-triaza-4,6-diphospha-2,8-disilanon-3-en-4-ido-κ2P,P′}palladium(II)) diethyl ether disolvate

IUCrData ◽  
2016 ◽  
Vol 1 (6) ◽  
Author(s):  
Martha Höhne ◽  
Bernd H. Müller ◽  
Anke Spannenberg ◽  
Uwe Rosenthal
Keyword(s):  
Dihedral Angle ◽  
Diethyl Ether ◽  
Title Compound ◽  
Palladium Complex ◽  
Solvent Molecule ◽  
The Novel ◽  
Bite Angle ◽  
Square Planar ◽  
Metal Catalyzed

The title compound, [Pd2(C18H54Cl2N4P2Si6)2Cl2]·2C4H10O, features a dinuclear chloride-bridged palladium complex bearing two equivalents of the novel monoanionic mixed valent (λ3-P)—N—(λ5-P) ligand. A metal catalyzed coupling of two aminoiminophosphines and a shift of one chlorine from the metal to the phosphorus results in the (λ3-P)—N—(λ5-P) ligand. The molecule contains a planar bimetallic Pd2Cl2core with a crystallographic centre of inversion at the mid-point of the Pd...Pd line. The Pd atoms are in a distorted square-planar arrangement, where the P/Pd/P and Cl/Pd/Cl planes are twisted with respect to each other by a dihedral angle of 7.57 (4)°. The P—Pd—P bite angle is 71.380 (18)°. Intramolecular C—H...Cl interactions are observed. In the crystal, the diethyl ether solvent molecule is disordered over two sites, with an occupancy ratio of 0.788 (5):0.212 (5).

scholarly journals [μ-Butane-1,4-diylbis(diphenylphosphane)-κ2P:P′]bis{[butane-1,4-diylbis(diphenylphosphane)-κ2P,P′]copper(I)} bis(hexafluoridophosphate) diethyl ether disolvate

2014 ◽  
Vol 70 (6) ◽  
pp. m204-m205
Author(s):  
Michihiro Nishikawa ◽  
Asumi Akiyama ◽  
Taro Tsubomura
Keyword(s):  
Diethyl Ether ◽  
Title Compound ◽  
Complex Cation ◽  
Solvent Molecule ◽  
Coordination Geometry ◽  
Dinuclear Copper

In the centrosymmetric dinuclear copper(I) complex cation of the title compound, [Cu2(C28H28P2)3](PF6)2·2C4H10O, the CuIatom is bonded to three P atoms of two butane-1,4-diylbis(diphenylphosphane) (dppb) ligands with a triangular coordination geometry. One of these P atoms belongs to a bridging dppb ligand [Cu—P = 2.2381 (5) Å] and two belong to a chelating dppb ligand [Cu—P = 2.2450 (6) and 2.2628 (5) Å]. The bridging dppb ligand lies on an inversion centre. In the crystal, the cation and the PF6−anion are linked by C—H...F interactions, forming a tape along [110]. The cation and the diethyl ether solvent molecule are also linked by a C—H...O interaction.

trans-(2,2′-Bipyridine)dichlorido[1-(4-methylphenylimino)-1-(phenylhydrazono)propan-2-one]ruthenium(II) dichloromethane solvate

2007 ◽  
Vol 63 (11) ◽  
pp. m2713-m2713 ◽  
Author(s):  
Mousa Al-Noaimi ◽  
Mohammad El-khateeb ◽  
Helmar Görls
Keyword(s):  
Title Compound ◽  
Solvent Molecule ◽  
Bidentate Ligand ◽  
Octahedral Coordination ◽  
Coordination Environment ◽  
Chloride Ligands ◽  
Cl Atoms

The title compound, [RuCl2(C10H8N2)(C16H15N3O)]·CH2Cl2, has a pseudo-octahedral coordination environment made up of two trans chloride ligands and four N-donor atoms, two of which are from the strong π-acceptor azoimine bidentate ligand. The two Cl atoms of the solvent molecule are disordered over two positions in an approximately 0.7:0.3 ratio.

scholarly journals 25,27-(3,6,9-Trioxaundecane-1,11-dioxy)-26,28-{3-[4-(tricyanoethylene)phenyl]-3-azapentane-1,5-dioxy}calix[4]arene dichloromethane monosolvate

IUCrData ◽  
2019 ◽  
Vol 4 (1) ◽  
Author(s):  
Jae Myoung Lee ◽  
Sung Baek Kim ◽  
Wonbo Sim ◽  
Jai Young Lee
Keyword(s):  
Hydrogen Bond ◽  
Nitrogen Atom ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Solvent Molecule ◽  
The Other ◽  
Compound C ◽  
Benzene Rings ◽  
Oxygen Atoms

The title compound, C51H48N2O7, was synthesized by the reaction of 25,27-(3,6,9-trioxaundecane-1,11-dioxy)-26,28-(3-phenyl)-3-azapentane-1,5-dioxy)calix[4]arene with tetracyanoethylene in dry DMF. The compound has a 1,3-alternate conformation with an oxo-crown-5 unit and an aza-crown-3 unit with a nitrogen atom connecting tricyanoethylenephenyl group as a chromophore. Pairs of benzene rings of the calixarene are facing one another. Three of the four oxygen atoms connected to a benzene have endo-conformations while the other is exo. The oxo-crown-5 system has a t–g–g–t conformation. The dichloromethane solvent molecule is linked to the main molecule by a C—H...Cl hydrogen bond. In the crystal, C—H...O, C—H...Cl hydrogen bonds and C—H...π(ring) interactions are observed.

scholarly journals 4-Cyclohexyl-1-(2-methoxybenzoyl)thiosemicarbazide with an unknown solvent

IUCrData ◽  
2018 ◽  
Vol 3 (3) ◽  
Author(s):  
Rahul Chaurasia ◽  
Akhilesh Bharti ◽  
Ray J. Butcher ◽  
Jan L. Wikaira ◽  
Manoj K. Bharty
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Solvent Molecule ◽  
The Other ◽  
Crystal Data ◽  
Chemical Formula ◽  
Compound C ◽  
The Mean ◽  
The Given

In the title compound, C15H21N3O2S, a short intramolecular N—H...O hydrogen bond generates anS(6) ring. The molecule is twisted with a dihedral angle between the benzene ring and the mean plane of the cyclohexyl ring being 58.90 (6)°. In the crystal, inversion dimers are formed with each molecule linked to the other by two N—H(H)...O hydrogen bonds to the same acceptor, generatingR21(6) loops. A region of disordered electron density was corrected for using the SQUEEZE routine inPLATON[Spek (2015).ActaCryst. C71, 9–18]. The given chemical formula and other crystal data do not take into account the unknown solvent molecule(s).

Isopentyltriphenylphosphonium bromide methanol solvate

2006 ◽  
Vol 62 (7) ◽  
pp. o2941-o2942
Author(s):  
Edmund W. Czerwinski
Keyword(s):  
Title Compound ◽  
Solvent Molecule ◽  
Extended Conformation ◽  
Compound C ◽  
Phenyl Rings ◽  
Bromide Ion ◽  
Hydrogen Bonded

At 102 K, the isopentyl group of the title compound, C23H26P+·Br−, is in the extended conformation. The phenyl rings are in the propeller configuration usually found in this family of triphenylphosphonium compounds. The methanol solvent molecule is hydrogen bonded to the bromide ion.

2-(4-Chlorophenyl)-N-{3-cyano-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl}-3-methylbutanamide ethanol solvate

2006 ◽  
Vol 62 (5) ◽  
pp. o1836-o1838
Author(s):  
Jing-Li Cheng ◽  
Fang-Lin Wei ◽  
Wen-Jun Gui ◽  
Guo-Nian Zhu
Keyword(s):  
Hydrogen Bond ◽  
Title Compound ◽  
Cyano Group ◽  
Solvent Molecule ◽  
Hydroxyl Group ◽  
Asymmetric Unit ◽  
Hydrogen Bond Interactions ◽  
Compound C ◽  
Ethanol Solvate ◽  
Hydrogen Bonded

In the title compound, C22H16Cl3F3N4O·C2H6O, the asymmetric unit consists of one molecule of C22H16Cl3F3N4O and one ethanol solvent molecule which are connected through an N—H...O hydrogen bond. The H atom of the hydroxyl group of the solvent molecule is hydrogen bonded to the N atom of the cyano group. These hydrogen-bond interactions result in the formation of zigzag chains parallel to the a axis.

scholarly journals trans-Chlorido(4-fluorobenzenethiolato-κS)bis(triphenylphosphane-κP)palladium(II) methanol hemisolvate

2014 ◽  
Vol 70 (3) ◽  
pp. m92-m93
Author(s):  
Alcives Avila-Sorrosa ◽  
Ericka Santacruz-Juárez ◽  
Alicia Reyes-Arellano ◽  
Reyna Reyes-Martínez ◽  
David Morales-Morales
Keyword(s):  
Hydrogen Bonding ◽  
Coordination Sphere ◽  
Title Compound ◽  
Solvent Molecule ◽  
Planar Geometry ◽  
Complex Molecules ◽  
Hydrogen Bonding Interactions ◽  
Square Planar

The title compound, [Pd(SC6H4F-p)Cl(PPh3)2]·0.5CH3OH, features a PdIIcomplex with two triphenylphosphane (PPh3) ligands arranged in atransconformation, with one chloride and one 4-fluorobenzenethiolate ligand completing the coordination sphere, giving rise to a slightly distorted square-planar geometry of the PdIIion. The methanol solvent molecule is disordered about an inversion centre with an occupancy of 0.25 for each molecule. In the crystal, weak C—H...Cl hydrogen-bonding interactions between the complex molecules generate chain frameworks parallel to [010].

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