scholarly journals Redetermination of bis(acetylacetonato-κ2O,O′)(1,10-phenanthroline-κ2N,N′)manganese(II)

2013 ◽  
Vol 69 (11) ◽  
pp. m620-m620
Author(s):  
Stefan Suckert ◽  
Inke Jess ◽  
Christian Näther
Keyword(s):  
Crystal Structure ◽  
Title Compound ◽  
Rotation Axis ◽  
Asymmetric Unit ◽  
Bond Lengths ◽  
Image Plate ◽  
Phenanthroline Ligand

In the crystal structure of the title compound, [Mn(C5H7O2)2(C12H8N2)], the Mn2+cation is coordinated by one bidentate 1,10-phenanthroline ligand and two acetylacetonate anions within a slightly distorted N2O4octahedron. The asymmetric unit consists of one Mn2+cation situated on a twofold rotation axis, one half of a 1,10-phenanthroline ligand and one acetylacetonate anion. In comparison with the previous determination based on visually estimated intensities recorded on precession photographs, the current redetermination with image-plate data reveals bond lengths and angles with much higher precision.

scholarly journals Bis(1,2-dimethoxyethane)-1κ2O,O′;3κ2O,O′-tetrakis(μ-1,1,1,3,3,3-hexafluoro-2-methylpropan-2-olato)-1:2κ4O:O;2:3κ4O:O-1,3-dilithium-2-magnesium

2012 ◽  
Vol 68 (8) ◽  
pp. m1106-m1106 ◽  
Author(s):  
Klaus Wurst ◽  
Michael R. Buchmeiser
Keyword(s):  
Crystal Structure ◽  
Title Compound ◽  
Rotation Axis ◽  
Ligand Field ◽  
Asymmetric Unit ◽  
Crystalline Powder ◽  
Bridging Ligands ◽  
White Crystalline Powder

The title compound, [Li2Mg(C4H3F6O)4(C4H10O2)2], forms as a white crystalline powder by-product of the reaction of lithium 1,1,1,3,3,3-hexafluoro-2-methyl-2-propoxide with Mo(N-2,6-Me2—C6H3)(CHCMe2Ph)(O3SCF3)2·2DME (DME is 1,2-dimethoxyethane) contaminated with MgCl2. The crystal structure of this compound contains half a molecule in the asymmetric unit, with a twofold rotation axis through the central Mg2+cation. The four 1,1,1,3,3,3-hexafluoro-2-methylpropan-2-olate ligands serve as bridging ligands connecting the Li+and Mg2+cations. The Li+cation is additionally stabilized by a DME ligand. This results in a distorted tetrahedral ligand field around both the Mg2+and Li+cations.

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.

Bis{4-[2-(2-hydroxyphenyl)ethyleneamino]phenyl} ether

2006 ◽  
Vol 62 (5) ◽  
pp. o2056-o2058
Author(s):  
Şerife Pınar ◽  
Mehmet Akkurt ◽  
Ali Asghar Jarrahpour ◽  
Shadab Rezaei ◽  
Orhan Büyükgüngör
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Title Compound ◽  
Phenyl Ether ◽  
Asymmetric Unit ◽  
Bond Lengths ◽  
Compound C

In the title compound, C28H24N2O3, the two molecules in the asymmetric unit have different conformations about the ether bonds. The bond lengths and angles of the two molecules are nearly identical. The crystal structure is stabilized by intramolecular O—H...N and intermolecular C—H...O hydrogen bonding.

scholarly journals Tris(pyrrolidin-1-yl)carbenium tri-μ-iodido-bis[triiodidobismuthate(III)]

IUCrData ◽  
2016 ◽  
Vol 1 (3) ◽  
Author(s):  
Ioannis Tiritiris ◽  
Georg Knobloch ◽  
Stefan Saur ◽  
Willi Kantlehner
Keyword(s):  
Double Bond ◽  
Title Compound ◽  
Rotation Axis ◽  
Asymmetric Unit ◽  
Charge Delocalization ◽  
Iodide Ions ◽  
Bond Lengths ◽  
Distorted Octahedral ◽  
Methylene Groups ◽  
Bond Character

The asymmetric unit of the title compound, 3(C13H24N3)+[Bi2I9]3−, comprises two cations and one half of a [Bi2I9]3−ion. The C—N bond lengths of the CN3units in both cations range from 1.336 (3) to 1.364 (5) Å, indicating partial double-bond character pointing towards charge delocalization within the NCN planes. All five-membered rings adopt an envelope conformation with the C atoms as the flap. One of the pyrrolidine rings (cation I) is disordered over two alternative envelope conformations. Two sets of positions were found for two of the methylene groups with an occupancy ratio of 0.757 (10):0.243 (10). The second disordered pyrrolidine moiety (cation II) is disordered around a twofold rotation axis and exhibits two half-occupied symmetry equivalent counterparts. The two BiIIIions are coordinated by six iodide ions in a distorted octahedral manner, with the Bi–I bond lengths ranging from 2.9544 (2) to 3.2414 (2) Å. Two [BiI6]3−octahedra are fused together through face-sharing, forming a dinuclear [Bi2I9]3−unit. The bond lengths of bismuth to the terminal iodides [2.9544 (2)–2.9889 (2) Å] are shorter than the bridging ones [3.1450 (2)–3.2414 (2) Å].

scholarly journals Bis(1-methylimidazole)[meso-α,α,α,α-tetrakis(o-nicotinamidophenyl)porphinato]iron(II)–1-methylimidazole–tetrahydrofuran (1/1/1.5)

IUCrData ◽  
2021 ◽  
Vol 6 (5) ◽  
Author(s):  
Yingying Fan ◽  
Jianfeng Li
Keyword(s):  
Crystal Structure ◽  
Bond Length ◽  
Dihedral Angle ◽  
Title Compound ◽  
Dihedral Angles ◽  
Asymmetric Unit ◽  
Bond Lengths ◽  
Porphyrin Core ◽  
Solvent Molecules ◽  
Pyrrole Nitrogen

In the title compound, [FeII(C68H44N12O4)(C4H6N2)2]·C4H6N2·1.5C4H8O, the central FeII ion is coordinated by four pyrrole N atoms of the porphyrin core and two N atoms of the 1-methylimidazole ligands in the axial sites. One 1-methylimidazole and one and a half tetrahydrofuran solvent molecules are also present in the asymmetric unit. The complex exhibits a near planar porphyrin core conformation, in which the iron centre is slightly displaced towards the hindered porphyrin side (0.01 Å). The average Fe—Np (Np refers to the pyrrole nitrogen atoms in the porphyrin) bond length is 1.990 (9) Å, and the axial Fe—NIm (NIm refers to the imidazole nitrogen atoms) bond lengths are 1.993 (3) and 2.004 (3) Å. The dihedral angle between the two coordinated 1-methylimidazole planes is 56.6 (2)°. The dihedral angles between the 1-methylimidazole planes and the planes of the closest Fe—Np vector are 16.8 (2) and 39.8 (2)°. N—H...N and N—H...O interactions are observed in the crystal structure.

scholarly journals Crystal structure of bis[(R,R)-1,2-(binaphthylphosphonito)ethane]dichloridoiron(II) dichloromethane disolvate

2020 ◽  
Vol 76 (9) ◽  
pp. 1525-1527
Author(s):  
Benjamin E. Rennie ◽  
Alan J. Lough ◽  
Robert H. Morris
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Title Compound ◽  
Rotation Axis ◽  
Solvent Molecule ◽  
Octahedral Coordination ◽  
Coordination Geometry ◽  
Asymmetric Unit ◽  
Π Interactions

In the title compound (systematic name: bis{1,2-bis[12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3(8),4,6,9,16,18(23),19,21-decaen-13-yl]ethane}dichloridoiron(II) dichloromethane disolvate), [FeCl2(C42H28O4P2)2]·2CH2Cl2, the FeII ion lies on a crystallographic twofold rotation axis and is coordinated by four P atoms from two (R,R)-1,2-bis(binaphthylphosphonito)ethane (BPE) ligands and two Cl ligands in a distorted cis-FeCl2P4 octahedral coordination geometry. In the crystal, weak C—H...O and C—H...π interactions link the molecules into layers lying parallel to (001). A weak intramolecular C—H...O hydrogen bond is also observed. The asymmetric unit contains one CH2Cl2 solvent molecule, which is disordered over two sets of site with refined occupancies in the ratio 0.700 (6):0.300 (6).

scholarly journals Crystal structure of 1,1′-[imidazolidine-1,3-diylbis(methylene)]bis(naphthalen-2-ol)

2015 ◽  
Vol 71 (3) ◽  
pp. 258-260 ◽  
Author(s):  
Augusto Rivera ◽  
Jicli José Rojas ◽  
Jaime Ríos-Motta ◽  
Michael Bolte
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Rotation Axis ◽  
Asymmetric Unit ◽  
Compound C ◽  
Twist Conformation ◽  
Ring Motif

The crystal structure of the title compound, C25H24N2O2, at 173 K has monoclinic (C2/c) symmetry. The molecule is located on a crystallographic twofold rotation axis with only half a molecule in the asymmetric unit. The imidazolidine ring adopts a twist conformation, with a twist about the ring C—C bond. The crystal structure shows theanticlinaldisposition of the two (2-hydroxynaphthalen-1-yl)methyl substituents of the imidazolidine ring. The structure displays two intramolecular O—H...N hydrogen bonds, each forming anS(6) ring motif.

scholarly journals Crystal structure of di-n-butylbis(η5-pentamethylcyclopentadienyl)hafnium(IV)

2015 ◽  
Vol 71 (2) ◽  
pp. m19-m20
Author(s):  
Perdita Arndt ◽  
Kathleen Schubert ◽  
Vladimir V. Burlakov ◽  
Anke Spannenberg ◽  
Uwe Rosenthal
Keyword(s):  
Crystal Structure ◽  
Title Compound ◽  
Component Ratio ◽  
Diffraction Experiment ◽  
Asymmetric Unit ◽  
Tetrahedral Geometry ◽  
Bond Lengths ◽  
Distorted Tetrahedral Geometry ◽  
Independent Molecules

The crystal structure of the title compound, [Hf(C10H15)2(C4H9)2], reveals two independent molecules in the asymmetric unit. The diffraction experiment was performed with a racemically twinned crystal showing a 0.529 (5):0.471 (5) component ratio. Each HfIVatom is coordinated by two pentamethylcyclopentadienyl and twon-butyl ligands in a distorted tetrahedral geometry, with the cyclopentadienyl rings inclined to one another by 45.11 (15) and 45.37 (16)°. In contrast to the isostructural di(n-butyl)bis(η5-pentamethylcyclopentadienyl)zirconium(IV) complex with a noticeable difference in the Zr–butyl bonding, the Hf—Cbutylbond lengths differ from each other by no more than 0.039 (3) Å.

scholarly journals Crystal structure of poly[[(2,2′-bipyridine)manganese(II)]-di-μ-thiocyanato]

2014 ◽  
Vol 70 (12) ◽  
pp. m401-m402
Author(s):  
Stefan Suckert ◽  
Susanne Wöhlert ◽  
Inke Jess ◽  
Christian Näther
Keyword(s):  
Crystal Structure ◽  
Title Compound ◽  
General Position ◽  
Rotation Axis ◽  
The Other ◽  
Asymmetric Unit ◽  
Thiocyanate Anion ◽  
Manganese Cation ◽  
Bipyridine Ligand

In the crystal structure of the polymeric title compound, [Mn(NCS)2(C10H8N2)]n, the MnIIcations are coordinated by one chelating 2,2′-bipyridine ligand and four thiocyanate anions (twoN- and twoS-coordinating), forming a distorted [MnN4S2] octahedron. The asymmetric unit consists of one manganese cation located on a twofold rotation axis and half of a 2,2′-bipyridine ligand, the other half being generated by the same twofold rotation axis, as well as one thiocyanate anion in a general position. The MnIIcations are linked by two pairs of μ1,3-bridging thiocyanate ligands into chains along thecaxis; because the N atoms of the 2,2′-bipyridine ligands, as well as the N and the S atoms of the thiocyanate anions, are eachcis-coordinating, these chains show a zigzag arrangement.

scholarly journals Crystal structure of bis[dihydrobis(pyrazol-1-yl)borato-κ2 N 2,N 2′](1,10-phenanthroline-κ2 N,N′)zinc(II)

2019 ◽  
Vol 75 (8) ◽  
pp. 1112-1116 ◽  
Author(s):  
Sascha Ossinger ◽  
Christian Näther ◽  
Felix Tuczek
Keyword(s):  
Crystal Structure ◽  
Title Compound ◽  
General Position ◽  
The Other ◽  
Site Symmetry ◽  
Asymmetric Unit ◽  
Cation Site ◽  
Rotation Symmetry ◽  
Phenanthroline Ligand ◽  
Phenanthroline Ligands

The asymmetric unit of the title compound, [Zn(C6H8N4B)2(C12H8N2)], comprises one half of a ZnII cation (site symmetry 2), one dihydrobis(pyrazol-1-yl)borate ligand in a general position, and one half of a phenanthroline ligand, the other half being completed by twofold rotation symmetry. The ZnII cation is coordinated in form of a slightly distorted octahedron by the N atoms of a phenanthroline ligand and by two pairs of N atoms of symmetry-related dihydrobis(pyrazol-1-yl)borate ligands. The discrete complexes are arranged into columns that elongate in the c-axis direction with a parallel alignment of the phenanthroline ligands, indicating weak π–π interactions.

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