scholarly journals Manganese(II) β-Diketonate Complexes with Pyridin-4-one, 3-Hydroxypyridin-2-one and 1-Fluoropyridine Ligands: Molecular Structures and Hydrogen-bonded Networks

2021 ◽  
Vol 68 (1) ◽  
pp. 193-204
Author(s):  
Anže Čavić ◽  
Franc Perdih
Keyword(s):  
Hydrogen Bonding ◽  
Solid State ◽  
Single Crystal ◽  
Layered Structure ◽  
Supramolecular Structure ◽  
Three Dimensional ◽  
Molecular Structures ◽  
X Ray ◽  
Π Interactions ◽  
Solid State Structures

Manganese(II) bis(4,4,4-trifluoro-1-phenylbutane-1,3-dionate) complexes with pyridin-4-one (pyon), 3-hydroxypyridin-2-one (hpyon), 1-fluoropyridine (pyF) and methanol were prepared and the solid-state structures were determined by single-crystal X-ray analysis. The coordination of the metal center in all complexes was found to be octahedral. In compounds [Mn(tfpb)2(pyon)2] (1) and [Mn(tfpb)2(hpyon)2] (2) extended hydrogen bonding is present facilitating the formation of a three-dimensional supramolecular structure in 1 and a layered structure in 2 through N–H···O hydrogen bonding enhanced by C–H···O interactions as well as C–F···π interactions. In [Mn(tfpb)2(pyF)2] (3) a layered structure is formed through C–H···O and C–H···F interactions as well as π···π and C–F···π interactions. In [Mn(tfpb)2(MeOH)2] (4) a layered structure is formed through a combination of O–H···O and C–F···π interactions.

Synthesis and molecular structures of N,N-dialkyl-4-nitrosoaniline adducts of formally d6 metalloporphyrins of ruthenium and cobalt

2001 ◽  
Vol 05 (09) ◽  
pp. 702-707 ◽  
Author(s):  
LI CHEN ◽  
JESSE B. FOX ◽  
GEUN-BAE YI ◽  
MASOOD A. KHAN ◽  
GEORGE B. RICHTER-ADDO
Keyword(s):  
Solid State ◽  
Single Crystal ◽  
Molecular Structures ◽  
Spectroscopic Methods ◽  
X Ray ◽  
X Ray Crystallography ◽  
High Yields ◽  
Solid State Structures

Para-aminosubstituted nitrosoarenes react with Ru ( CO )( OEP ) or [ Co ( TPP )( THF )2] SbF 6 (OEP2- = 2,3,7,8,12,13,17,18-octaethylporphyrinato dianion, TPP2- = 5,10,15,20-tetraphenylporphyrinato dianion) to generate Ru ( OEP )( ONC 6 H 4 NMe 2)2 and [ Co ( TPP )( ONC 6 H 4 NR 2)2] SbF 6 ( R = Me , Et ), respectively, in fair to high yields. These N -bound nitrosoarene complexes have been characterized by spectroscopic methods. The complexes Ru ( OEP )( ONC 6 H 4 NMe 2)2 and [ Co ( TPP )( ONC 6 H 4 NMe 2)2] ClO 4 have also been characterized by single-crystal X-ray crystallography. Their structures represent the first reported solid-state structures of Ru and Co porphyrins containing C-nitroso ligands.

Self-induced organic guest packed in three-dimensional architecture based on hetero-alkali metallic sulfonatothiacalix[4]arene

RSC Advances ◽  
2016 ◽  
Vol 6 (23) ◽  
pp. 19155-19159 ◽  
Author(s):  
Uma Maheswara Rao Kunda ◽  
Manabu Yamada ◽  
Hiroshi Katagiri ◽  
Fumio Hamada
Keyword(s):  
Hydrogen Bonding ◽  
Single Crystal ◽  
Three Dimensional ◽  
X Ray Diffraction ◽  
X Ray ◽  
Π Interactions ◽  
Π Stacking

Inclusion behavior of pyridine N-oxide in the cavity of hetero-alkali metallic sulfonatothaicalix[4]arene was studied by single crystal X-ray diffraction studies. π–π stacking, S–π interactions and hydrogen bonding were mainly supported this complex.

A new two-dimensional ZnII coordination polymer based on 1,3-bis(2-methyl-1H-imidazol-1-yl)benzene and 5-nitrobenzene-1,3-dicarboxylic acid: synthesis, crystal structure and physical properties

2019 ◽  
Vol 75 (2) ◽  
pp. 196-199 ◽  
Author(s):  
Ning-Ning Chen ◽  
Jian-Ning Ni ◽  
Jun Wang ◽  
Jian-Qing Tao
Keyword(s):  
Solid State ◽  
Single Crystal ◽  
Dicarboxylic Acid ◽  
Three Dimensional ◽  
Acid Synthesis ◽  
Dimensional Structure ◽  
Two Dimensional ◽  
X Ray Diffraction ◽  
X Ray ◽  
Π Interactions

A novel two-dimensional (2D) ZnII coordination framework, poly[[μ-1,3-bis(2-methyl-1H-imidazol-1-yl)benzene](μ-5-nitrobenzene-1,3-dicarboxylato)zinc(II)], [Zn(C8H3NO6)(C14H14N4)] n or [Zn(NO2-BDC)(1,3-BMIB)] n [1,3-BMIB is 1,3-bis(2-methyl-1H-imidazol-1-yl)benzene and NO2-H2BDC is 5-nitrobenzene-1,3-dicarboxylic acid], has been prepared and characterized by IR, elemental analysis, thermal analysis and single-crystal X-ray diffraction. Single-crystal X-ray diffraction analysis revealed that the compound is a new 2D polymer with a 63 topology parallel to the (10\overline{2}) crystal planes based on left-handed helices, right-handed helical NO2-BDC–Zn chains and [Zn2(1,3-BMIB)2] n clusters. In the crystal, adjacent layers are further connected by C—H...O hydrogen bonds, C—H...π interactions, C—O...π interactions and N—O...π interactions to form a three-dimensional structure in the solid state. In addition, the compound exhibits strong fluorescence emissions in the solid state at room temperature.

Synthesis, X-ray characterization and DFT studies of bis-N-imidazolylpyrimidine salts: the prominent role of hydrogen bonding and anion–π interactions

CrystEngComm ◽  
2014 ◽  
Vol 16 (38) ◽  
pp. 9043-9053 ◽  
Author(s):  
Francisca Orvay ◽  
Antonio Bauzá ◽  
Miquel Barceló-Oliver ◽  
Angel García-Raso ◽  
Joan J. Fiol ◽  
...  
Keyword(s):  
Hydrogen Bonding ◽  
Solid State ◽  
Single Crystal ◽  
Elemental Analysis ◽  
Dft Studies ◽  
X Ray Diffraction ◽  
X Ray ◽  
Π Interactions ◽  
New Compounds

Five new compounds have been synthesized and characterized by elemental analysis, IR, NMR and single-crystal X-ray diffraction. They present interesting assemblies in the solid state dominated by H-bonding and anion–π interactions.

Crystal and Molecular Structures of Penta-O-acetyl-aldehydo-D-glucose Dimethyl Acetal and of Hepta-O-acetyl-aldehydo-D-glucose Hydrate

1996 ◽  
Vol 49 (3) ◽  
pp. 391 ◽  
Author(s):  
P Koll ◽  
J Kopf
Keyword(s):  
Solid State ◽  
Single Crystal ◽  
Dimethyl Acetal ◽  
Molecular Structures ◽  
Carbon Skeleton ◽  
Parallel Orientation ◽  
X Ray ◽  
X Ray Crystallography ◽  
Crystal And Molecular Structures ◽  
Solid State Structures

The solid-state structures of the title compounds were determined by conventional single-crystal X-ray crystallography. In both cases a planar zigzag conformation of the carbon skeleton is observed with a resulting 1,3-parallel orientation of O(2) and O(4). In the case of the heptaacetate even a second such arrangement is established between O(3) and one of the oxygens at C(1). These findings substantiate the claim that such conformations are not as unfavourable as previously was assumed by many authors.

scholarly journals Manganese(II) chloride complexes with pyridineN-oxide (PNO) derivatives and their solid-state structures

2017 ◽  
Vol 73 (10) ◽  
pp. 1434-1438 ◽  
Author(s):  
Linda Kang ◽  
Genevieve Lynch ◽  
Will Lynch ◽  
Clifford Padgett
Keyword(s):  
Hydrogen Bonding ◽  
Solid State ◽  
Coordination Polymer ◽  
Single Crystal ◽  
Metal Cation ◽  
X Ray Diffraction ◽  
Chloride Complexes ◽  
Coordination Environment ◽  
X Ray ◽  
Solid State Structures

Three manganese(II)N-oxide complexes have been synthesized from the reaction of manganese(II) chloride with either pyridineN-oxide (PNO), 2-methylpyridineN-oxide (2MePNO) or 3-methylpyridineN-oxide (3MePNO). The compounds were synthesized from methanolic solutions of MnCl2·4H2O and the respectiveN-oxide, and subsequently characterized structurally by single-crystal X-ray diffraction. The compounds arecatena-poly[[aquachloridomanganese(II)]-di-μ-chlorido-[aquachloridomanganese(II)]-bis(μ-pyridineN-oxide)], [MnCl2(C5H5NO)(H2O)]nor [MnCl2(PNO)(H2O)]n(I),catena-poly[[aquachloridomanganese(II)]-di-μ-chlorido-[aquachloridomanganese(II)]-bis(μ-2-methylpyridineN-oxide)], [MnCl2(C6H7NO)(H2O)]nor [MnCl2(2MePNO)(H2O)]n(II), and bis(μ-3-methylpyridineN-oxide)bis[diaquadichloridomanganese(II)], [Mn2Cl4(C6H7NO)2(H2O)4] or [MnCl2(3MePNO)(H2O)2]2(III). The MnIIatoms are found in pseudo-octahedral environments for each of the three complexes. CompoundIforms a coordination polymer with alternating pairs of bridgingN-oxide and chloride ligands. The coordination environment is defined by two PNO bridging O atoms, two chloride bridging atoms, a terminal chloride, and a terminal water. CompoundIIalso forms a coordination polymer with a similar metal cation; however, the coordination polymer is bridged between MnIIatoms by both a single chloride and 2MePNO. The distorted octahedrally coordinated metal cation is defined by two bridging 2MePNOtransto each other, two chlorides, alsotransto one another in the equatorial (polymeric) plane, and a terminal chloride and terminal water. Finally, complexIIIforms a dimer with two bridging 3MePNOs, two terminal chlorides and two terminal waters forming the six-coordinate metal environment. All three compounds exhibit hydrogen bonding between the coordinating water(s) and terminal chlorides.

Experimental and computational structural study of two hindered aminoanthraquinones in crystals and solutions

2000 ◽  
Vol 215 (9) ◽  
Author(s):  
A.V. Yatsenko ◽  
K.A. Paseshnichenko ◽  
S.I. Popov
Keyword(s):  
Solid State ◽  
Single Crystal ◽  
Electronic Spectra ◽  
Molecular Structures ◽  
Amino Group ◽  
Single Crystal Diffraction ◽  
Molecular Conformations ◽  
X Ray ◽  
Crystal And Molecular Structures ◽  
Visible Spectra

The crystal and molecular structures of 2-methyl-1-methylamino-anthraquinone (I) and 1-methylphenylamino-anthraquinone (II) were studied by the X-ray single-crystal diffraction and the visible spectra of crystalline specimens and their solutions were recorded. The molecule I is closely planar, whereas in the molecule II the amino group is 58° rotated out of the plane of the anthraquinone skeleton. In both structures the molecules pack in stacks. The comparison of experimental and calculated (on the DFT and AM1 levels) molecular structures, together with the comparison of experimental and INDO/S-calculated electronic spectra, give the evidence that molecular conformations (especially for II) change upon transfer from the solid state to solutions, and the π-delocalisation throughout the whole molecule enhances in the solid state.

Adsorption behaviour of a CdII–triazole MOF for butan-2-one in a single-crystal-to-single-crystal (SCSC) fashion: the role of hydrogen bonding and C—H...π interactions

2019 ◽  
Vol 75 (6) ◽  
pp. 806-811
Author(s):  
Jia Wang ◽  
Tianchao You ◽  
Teng Wang ◽  
Qikui Liu ◽  
Jianping Ma ◽  
...  
Keyword(s):  
Hydrogen Bonding ◽  
Single Crystal ◽  
Specific Binding ◽  
Supramolecular Interactions ◽  
Adsorption Behaviour ◽  
X Ray Diffraction ◽  
Guest Molecules ◽  
X Ray ◽  
Π Interactions ◽  
H Nmr

The adsorption behaviour of the CdII–MOF {[Cd(L)2(ClO4)2]·H2O (1), where L is 4-amino-3,5-bis[3-(pyridin-4-yl)phenyl]-1,2,4-triazole, for butan-2-one was investigated in a single-crystal-to-single-crystal (SCSC) fashion. A new host–guest system that encapsulated butan-2-one molecules, namely poly[[bis{μ3-4-amino-3,5-bis[3-(pyridin-4-yl)phenyl]-1,2,4-triazole}cadmium(II)] bis(perchlorate) butanone sesquisolvate], {[Cd(C24H18N6)2](ClO4)2·1.5C4H8O} n , denoted C4H8O@Cd-MOF (2), was obtained via an SCSC transformation. MOF 2 crystallizes in the tetragonal space group P43212. The specific binding sites for butan-2-one in the host were determined by single-crystal X-ray diffraction studies. N—H...O and C—H...O hydrogen-bonding interactions and C—H...π interactions between the framework, ClO4 − anions and guest molecules co-operatively bind 1.5 butan-2-one molecules within the channels. The adsorption behaviour was further evidenced by 1H NMR, IR, TGA and powder X-ray diffraction experiments, which are consistent with the single-crystal X-ray analysis. A 1H NMR experiment demonstrates that the supramolecular interactions between the framework, ClO4 − anions and guest molecules in MOF 2 lead to a high butan-2-one uptake in the channel.

scholarly journals Solvent-free anhydrous Li+, Na+ and K+ salts of [B(3,5-(CF3)2C6H3)4]−, [BArF4]−. Improved synthesis and solid-state structures

2019 ◽  
Vol 48 (11) ◽  
pp. 3551-3554 ◽  
Author(s):  
Antonio J. Martínez-Martínez ◽  
Andrew S. Weller
Keyword(s):  
Solid State ◽  
Single Crystal ◽  
Solvent Free ◽  
X Ray ◽  
Solid State Structures

We report an alternative, improved, multigram scale (∼20 g, 60–70% yield) preparation of solvent-free anhydrous Li[BArF4], Na[BArF4] and K[BArF4], and the corresponding single-crystal X-ray characterisation of [Li(H2O)][BArF4], Na[BArF4]˙ and K[BArF4].

1,2-Dicyanoferrocene: synthesis and characterization

2016 ◽  
Vol 94 (6) ◽  
pp. 547-551 ◽  
Author(s):  
Mohammad A. Abdulmalic ◽  
Steve W. Lehrich ◽  
Heinrich Lang ◽  
Tobias Rüffer
Keyword(s):  
Cyclic Voltammetry ◽  
Solid State ◽  
Single Crystal ◽  
Square Wave Voltammetry ◽  
Molecular Structures ◽  
Synthesis And Characterization ◽  
X Ray ◽  
Square Wave ◽  
Wave Voltammetry ◽  
Convenient Synthesis

A convenient synthesis of 1,2-dicyanoferrocene (3) was developed by using 2,4-dinitrofluorobenzene as a dehydrating agent for the treatment of 1,2-ferrocenedicarbaldehyde dioxime (2) to give 3 in yields exceeding 80%. Compounds 2 and 3 have been characterized by IR and NMR (1H, 13C{1H}) spectroscopy and by electrochemistry (cyclic voltammetry and square-wave voltammetry). Furthermore, the molecular structures of 2 and 3 in the solid state have been determined by single-crystal X-ray crystallographic studies.

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