scholarly journals Crystal structure of bis(1-ethyl-1H-imidazole-κN 3)(5,10,15,20-tetraphenylporphyrinato-κ4 N)iron(II) tetrahydrofuran monosolvate

2018 ◽  
Vol 74 (6) ◽  
pp. 772-775
Author(s):  
Wei Ding ◽  
Jianfeng Li
Keyword(s):  
Crystal Structure ◽  
Bond Length ◽  
Dihedral Angle ◽  
Equatorial Plane ◽  
Solvent Molecule ◽  
Octahedral Geometry ◽  
Title Complex ◽  
Inversion Symmetry ◽  
Porphyrin Ligand ◽  
Atom Bond

The title complex, [Fe(C44H28N4)(C5H8N2)2]·C4H8O, possesses inversion symmetry with the iron(II) atom located on a center of symmetry. The metal atom is coordinated in a symmetric octahedral geometry by four pyrrole N atoms of the porphyrin ligand in the equatorial plane and two N atoms of 1-ethylimidazole ligands in the axial sites; the complex crystallizes with a tetrahydrofuran solvent molecule. The average Fe—Np (Np is a porphyrin N atom) bond length is 1.995 (3) Å and the axial Fe—NIm (NIm is an imidazole N atom) bond length is 1.994 (2) Å. The two 1-ethylimidazole ligands are mutually parallel. The dihedral angle between the 1-ethylimidazole plane and the plane of the closest Fe—Np vector is 24.5°. In the crystal, the only significant intermolecular interactions present are C—H...π interactions.

scholarly journals Crystal structure of di-μ-methanolato-bis{[N′-(1-benzoylprop-1-en-2-yl)thiophene-2-carbohydrazidato-κ3O,N′,O′]oxidovanadium(V)}

2014 ◽  
Vol 70 (10) ◽  
pp. m353-m354
Author(s):  
Murilo C. Carroccia ◽  
Rafaela B. P. Pesci ◽  
Pedro Ivo da S. Maia ◽  
Victor M. Deflon
Keyword(s):  
Crystal Structure ◽  
Bond Length ◽  
Equatorial Plane ◽  
Title Complex ◽  
Inversion Symmetry ◽  
Dispersion Forces ◽  
Complex Molecules ◽  
Binuclear Molecule ◽  
Distorted Octahedral ◽  
Oxide Group

The neutral binuclear molecule of the title complex, [V2(C15H12N2O2S)2(CH3O)2O2], exhibits inversion symmetry and consists of two oxidovanadium(V) (VO)3+fragments, each coordinated by a dianionic andO,N′,O′-chelatingN′-(1-benzoylprop-1-en-2-yl)thiophene-2-carbohydrazidate ligand. The V5+cations are bridged by two asymmetrically bonding methanolate ligands [V—O = 1.8155 (12) and 2.3950 (13) Å] originating from the deprotonation of the methanol solvent. The coordination sphere of the VVatom is distorted octahedral, with the equatorial plane defined by the three donor atoms of the thiophene-2-carbohydrazidate ligand and the O atom of a methanolate unit. The axial positions are occupied by the oxide group and the remaining methanolate ligand. The axially bound methanolate ligand shows a longer V—O bond length due to thetransinfluence caused by the tightly bonded oxide group. The packing of the complex molecules is dominated by dispersion forces.

scholarly journals Bis(μ-2-hydroxymethyl-2-methylpropane-1,3-diolato)bis[dichloridotitanium(IV)] diethyl ether disolvate

2013 ◽  
Vol 69 (12) ◽  
pp. m676-m677
Author(s):  
Alastair J. Nielson ◽  
Chaohong Shen ◽  
Joyce M. Waters
Keyword(s):  
Bond Length ◽  
Diethyl Ether ◽  
Solvent Molecule ◽  
Octahedral Geometry ◽  
Title Complex ◽  
Distorted Octahedral Geometry ◽  
Tripodal Ligand ◽  
Oh Groups ◽  
Bond Lengths ◽  
Distorted Octahedral

The title complex, [Ti2Cl4{CH3C(CH2O)2(CH2OH)}2], lies across a centre of symmetry with a diethyl ether solvent molecule hydrogen bonded to the –CH2OH groups on either side of it. The TiIVatom is coordinated in a distorted octahedral geometry by a tripodal ligand and two terminal chloride atoms. There are three coordination modes for the tripodal ligand distinguishable on the basis of their very different Ti—O bond lengths. For the terminal alkoxo ligand, the Ti—O distance is 1.760 (1) Å, the asymmetric bridge system has Ti—O bond lengths of 1.911 (1) and 2.048 (1) Å. The Ti—O bond length for the alcohol O atom is the longest at 2.148 (1) Å.

scholarly journals Crystal structure of di-μ-chlorido-bis(chlorido{N1-phenyl-N4-[(pyridin-2-yl-κN)methylidene]benzene-1,4-diamine-κN4}mercury(II))

2015 ◽  
Vol 71 (9) ◽  
pp. m175-m176 ◽  
Author(s):  
Md. Serajul Haque Faizi ◽  
Elena V. Prisyazhnaya
Keyword(s):  
Crystal Structure ◽  
Schiff Base ◽  
Dihedral Angle ◽  
Phenyl Ring ◽  
Pyridine Ring ◽  
Title Complex ◽  
The Other ◽  
Inversion Symmetry ◽  
Central Ring ◽  
Cl Atoms

The whole molecule of the title complex, [Hg2Cl4(C18H15N3)2], is generated by inversion symmetry. It was synthesized from the pyridine-derived Schiff baseN-phenyl-N′-[(pyridin-2-yl)methylidene]benzene-1,4-diamine (PPMBD). The five-coordinated Hg2+ions have a distorted square-pyramidal environment defined by two N atoms,viz.the imine and the other pyridyl [Hg—N = 2.467 (6) and 2.310 (6) Å, respectively] belonging to the bidentate iminopyridine ligand, and three Cl atoms [Hg—Cl = 2.407 (2), 2.447 (2) and 3.031 (2) Å]. The longest Hg—Cl bond is bridging about the inversion centre. In the ligand, the central ring and pyridine ring are oriented at a dihedral angle of 8.1 (4)°, while the planes of the pyridine ring and the terminal phenyl ring are oriented at a dihedral angle of 53.8 (4)°. In the crystal, molecules are linked by N—H...Cl and C—H...Cl hydrogen bonds, forming sheets parallel to (001).

scholarly journals Crystal structure of bis(2-methyl-1H-imidazole-κN3)(meso-tetra-p-tolylporphyrinato-κ4N)iron(III) perchlorate tetrahydrofuran sesquisolvate

2016 ◽  
Vol 72 (8) ◽  
pp. 1116-1120 ◽  
Author(s):  
Wenyan Sun ◽  
Jianfeng Li
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Octahedral Geometry ◽  
Distorted Octahedral Geometry ◽  
Dihedral Angles ◽  
Porphyrin Ligand ◽  
Distorted Octahedral ◽  
The Mean ◽  
Porphyrin Core ◽  
Atom Bond

In the title compound, [Fe(C48H36N4)(C4H6N2)2]ClO4·1.5C4H8O, the iron(III) metal is coordinated in a distorted octahedral geometry by four pyrrole N atoms of the porphyrin ligand in the equatorial plane and two N atoms of 2-methylimidazole ligands in the axial sites. The complex has a highly ruffled porphyrin core with mean absolute core-atom displacementsCa,Cb,CmandCavof 0.25 (5), 0.17 (12), 0.432 (16) and 0.25 (13) Å, respectively. One of the four phenyl groups of the porphyrin is disordered over two sets of sites with refined occupancy ratio of 0.718 (7):0.282 (7). The mean Fe—Np(Npis a porphyrin N atom) bond length [1.975 (9) Å] indicates the low-spin state of the iron atom. The two 2-methylimidazole ligands are nearly perpendicular and form a dihedral angle of 86.93 (10)°. The dihedral angles between the 2-methylimidazole ligands and the closest Fe—Npvector are 38.04 (9) and 35.00 (7)°. In the crystal, the complex cations interact with the perchlorate anions through N—H...O hydrogen bonds, forming chains running parallel to [110].

Metal complexes with chloride and triazole-based ligands: investigation of a well-resolved up–up–down–down (uudd) cyclic water tetramer andX—H...Cl (X= O and C) hydrogen-bonding interactions

2012 ◽  
Vol 68 (12) ◽  
pp. m344-m346 ◽  
Author(s):  
Jian-Hua Guo
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Hydrogen Bonds ◽  
Equatorial Plane ◽  
Three Dimensional ◽  
Title Complex ◽  
Supramolecular Network ◽  
Inversion Symmetry ◽  
Hydrogen Bonding Interactions ◽  
Cobalt Compounds

The crystal structure of the title complex,trans-dichloridotetrakis[1-phenyl-3-(1H-1,2,4-triazol-1-yl-κN4)propan-1-one]copper(II) hexahydrate, [CuCl2(C11H11N3O)4]·6H2O, is isomorphous with that of the corresponding nickel and cobalt compounds. The complex has crystallographic inversion symmetry with the CuIIatom on an inversion centre. Each CuIIatom is six-coordinated by one N atom from each of the four 1-phenyl-3-(1H-1,2,4-triazol-1-yl)propan-1-one ligands in the equatorial plane and by two chloride ligands in axial positions. The structure includes a centrosymmetric irregular up–up–down–down (uudd) water tetramer cluster and O—H...Cl hydrogen bonds. Intermolecular C—H...Cl hydrogen bonds exist between adjacent molecules, resulting in a three-dimensional supramolecular network.

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].

scholarly journals Crystal structure of bis(2-{1-[(E)-(4-fluorobenzyl)imino]ethyl}phenolato-κ2N,O)palladium(II)

2015 ◽  
Vol 71 (4) ◽  
pp. 350-353
Author(s):  
Amalina Mohd Tajuddin ◽  
Hadariah Bahron ◽  
Hamizah Mohd Zaki ◽  
Karimah Kassim ◽  
Suchada Chantrapromma
Keyword(s):  
Crystal Structure ◽  
Schiff Base ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Complex ◽  
Asymmetric Unit ◽  
Schiff Base Ligands ◽  
Bond Lengths ◽  
Square Planar ◽  
Coordination Plane

The asymmetric unit of the title complex, [Pd(C15H13FNO)2], contains one half of the molecule with the PdIIcation lying on an inversion centre and is coordinated by the bidentate Schiff base anion. The geometry around the cationic PdIIcentre is distorted square planar, chelated by the imine N- and phenolate O-donor atoms of the two Schiff base ligands. The N- and O-donor atoms of the two ligands are mutuallytrans, with Pd—N and Pd—O bond lengths of 2.028 (2) and 1.9770 (18) Å, respectively. The fluorophenyl ring is tilted away from the coordination plane and makes a dihedral angle of 66.2 (2)° with the phenolate ring. In the crystal, molecules are linked into chains along the [101] direction by weak C—H...O hydrogen bonds. Weak π–π interactions with centroid–centroid distances of 4.079 (2) Å stack the molecules alongc.

scholarly journals Crystal structure of aquabis[2-(1H-benzimidazol-2-yl-κN3)aniline-κN]zinc dinitrate

2015 ◽  
Vol 71 (4) ◽  
pp. m85-m86 ◽  
Author(s):  
Yongtae Kim ◽  
Sung Kwon Kang
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Equatorial Plane ◽  
Rotation Axis ◽  
Three Dimensional ◽  
Aqua Ligand ◽  
Trigonal Bipyramidal ◽  
Dimensional Network ◽  
Distorted Trigonal Bipyramidal

The cation of the complex title salt, [Zn(C13H11N3)2(H2O)](NO3)2, lies about a twofold rotation axis, which passes through the ZnIIatom and the O atom of the aqua ligand. The ZnIIatom adopts a distorted trigonal–bipyramidal geometry defined by two N atoms in axial positions [angle = 166.24 (7)°], and two N and one O atom in the equatorial plane [range of angles: 115.17 (7)–122.42 (3)°]. The dihedral angle between the imidazole and aniline rings is 23.86 (5)°. In the crystal, N—H...O and O—H...O hydrogen bonds link the components into a three-dimensional network.

scholarly journals Triprolidinium dichloranilate–chloranilic acid–methanol–water (2/1/2/2)

2012 ◽  
Vol 68 (4) ◽  
pp. o1037-o1038 ◽  
Author(s):  
A. S. Dayananda ◽  
Ray J. Butcher ◽  
Mehmet Akkurt ◽  
H. S. Yathirajan ◽  
B. Narayana
Keyword(s):  
Crystal Structure ◽  
Title Compound ◽  
Solvent Molecule ◽  
Site Occupancy ◽  
Symmetry Element ◽  
Inversion Symmetry ◽  
Acid Molecule ◽  
Chloranilic Acid ◽  
Π Interactions ◽  
Benzene Rings

In the triprolidinium cation of the title compound {systematic name: 2-[1-(4-methylphenyl)-3-(pyrrolidin-1-ium-1-yl)prop-1-en-1-yl]pyridin-1-ium bis(2,5-dichloro-4-hydroxy-3,6-dioxocyclohexa-1,4-dien-1-olate)–2,5-dichloro-3,6-dihydroxycyclohexa-2,5-diene-1,4-dione–methanol–water (2/1/2/2)}, C19H24N22+·2C6HCl2O4−·0.5C6H2Cl2O4·CH3OH·H2O, the N atoms on both the pyrrolidine and pyridine groups are protonated. The neutral chloranilic acid molecule is on an inversion symmetry element and its hydroxy H atoms are disordered over two positions with site-occupancy factors of 0.53 (6) and 0.47 (6). The methanol solvent molecule is disordered over two positions in a 0.836 (4):0.164 (4) ratio. In the crystal, N—H...O, O—H...O and C—H...O interactions link the components. The crystal structure also features π–π interactions between the benzene rings [centroid–centroid distances = 3.5674 (15), 3.5225 (15) and 3.6347 (15) Å].

scholarly journals Crystal structure of bis(azido-κN)bis(quinolin-8-amine-κ2N,N′)iron(II)

2016 ◽  
Vol 72 (10) ◽  
pp. 1488-1491
Author(s):  
Fatima Setifi ◽  
Dohyun Moon ◽  
Robeyns Koen ◽  
Zouaoui Setifi ◽  
Morad Lamsayah ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Magnetic Properties ◽  
Structure Determination ◽  
Crystal Packing ◽  
Octahedral Geometry ◽  
Title Complex ◽  
Two Dimensional ◽  
Azide Ion ◽  
Amine Ligands

The search for new molecular materials with interesting magnetic properties using the pseudohalide azide ion and quinolin-8-amine (aqin, C9H8N2) as a chelating ligand, led to the synthesis and structure determination of the title complex, [Fe(N3)2(C9H8N2)2]. The complex shows an octahedral geometry, with the FeIIatom surrounded by six N atoms; the two N3−anions coordinate in acisconfiguration, while the remaining N atoms originate from the two quinolin-8-amine ligands with the quinoline N atoms lying on opposite sides of the Fe atom. The crystal packing is dominated by layers of hydrophilic and aromatic regions parallel to theacplane, stabilized by a two-dimensional hydrogen-bonded network and π–π stacking.

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