scholarly journals Crystal structure of chlorido(5,10,15,20-tetraphenylporphyrinato-κ4N)manganese(III) 2-aminopyridine disolvate

2015 ◽  
Vol 71 (2) ◽  
pp. 165-167 ◽  
Author(s):  
Wafa Harhouri ◽  
Salma Dhifaoui ◽  
Shabir Najmudin ◽  
Cecilia Bonifácio ◽  
Habib Nasri
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Axial Ligand ◽  
Pyramidal Geometry ◽  
Porphyrin Macrocycle ◽  
Planar Conformation ◽  
Solvent Molecules ◽  
Square Pyramidal Geometry

In the title compound, [Mn(C44H28N4)Cl]·2C5H6N2, the MnIIIcentre is coordinated by four pyrrole N atoms [averaged Mn—N = 2.012 (4) Å] of the tetraphenylporphyrin molecule and one chloride axial ligand [Mn—Cl = 2.4315 (7) Å] in a square-pyramidal geometry. The porphyrin macrocycle exhibits a non-planar conformation with majorrufflingandsaddlingdistortions. In the crystal, two independent solvent molecules form dimers through N—H...N hydrogen bonding. In these dimers, one amino N atom has a short Mn...N contact of 2.642 (1) Å thus completing the Mn environment in the form of a distorted octahedron, and another amino atom generates weak N—H...Cl hydrogen bonds, which link further all molecules into chains along theaaxis.

scholarly journals Crystal structure of di-μ-hydroxido-bis{aqua[ethyl (1,10-phenanthrolin-3-yl)phosphonato-κ2N,N′]copper(II)} heptahydrate

2018 ◽  
Vol 74 (12) ◽  
pp. 1751-1754
Author(s):  
Alexander Yu. Mitrofanov ◽  
Yoann Rousselin
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Water Molecule ◽  
Title Compound ◽  
Binuclear Complex ◽  
Three Dimensional ◽  
Water Molecules ◽  
Hydroxyl Groups ◽  
Pyramidal Geometry ◽  
Square Pyramidal Geometry

In the title compound, [Cu2(OH)2{C12H7N2(PO3C2H5)}2(H2O)2]·7H2O, two Cu2+cations are bridged by two hydroxide groups, forming a centrosymmetric binuclear complex. Each Cu2+cation is further coordinated by the N atoms of a bidentate ethyl (1,10-phenanthrolin-3-yl)phosphonate anion and a water molecule in a square-pyramidal geometry. In the crystal, a network of O—H...O hydrogen bonds involving the P(O)(O−)(OEt) groups, bridging hydroxyl groups, coordinated and uncoordinated water molecules generates a three-dimensional supramolecular structure. The ethyl group exhibits disorder and was modelled over three sites with occupancies of 0.455, 0.384 and 0.161.

scholarly journals Crystal structure of (4-cyanopyridine-κN){5,10,15,20-tetrakis[4-(benzoyloxy)phenyl]porphyrinato-κ4N}zinc–4-cyanopyridine (1/1)

2016 ◽  
Vol 72 (2) ◽  
pp. 164-169 ◽  
Author(s):  
Soumaya Nasri ◽  
Nesrine Amiri ◽  
Ilona Turowska-Tyrk ◽  
Jean-Claude Daran ◽  
Habib Nasri
Keyword(s):  
Crystal Structure ◽  
Bond Length ◽  
Title Compound ◽  
Axial Ligand ◽  
Complex Molecules ◽  
Zinc Cation ◽  
Π Interactions ◽  
Pyramidal Geometry ◽  
Π Stacking ◽  
Square Pyramidal Geometry

In the title compound, [Zn(C72H44N4O8)(C6H4N2)]·C6H4N2or [Zn(TPBP)(4-CNpy]·(4-CNpy) [where TPBP and 4-CNpy are 5,10,15,20-(tetraphenylbenzoate)porphyrinate and 4-cyanopyridine, respectively], the ZnIIcation is chelated by four pyrrole-N atoms of the porphyrinate anion and coordinated by a pyridyl-N atom of the 4-CNpy axial ligand in a distorted square-pyramidal geometry. The average Zn—N(pyrrole) bond length is 2.060 (6) Å and the Zn—N(4-CNpy) bond length is 2.159 (2) Å. The zinc cation is displaced by 0.319 (1) Å from the N4C20mean plane of the porphyrinate anion toward the 4-cyanopyridine axial ligand. This porphyrinate macrocycle exhibits major saddle and moderate ruffling and doming deformations. In the crystal, the [Zn(TPBP)(4-CNpy)] complex molecules are linked togetherviaweak C—H...N, C—H...O and C—H...π interactions, forming supramolecular channels parallel to thecaxis. The non-coordinating 4-cyanopyridine molecules are located in the channels and linked with the complex molecules,viaweak C—H...N interactions and π-π stacking orviaweak C—H...O and C—H...π interactions. The non-coordinating 4-cyanopyridine molecule is disordered over two positions with an occupancy ratio of 0.666 (4):0.334 (4).

Bis(2-aminoacetato-κ2 N,O)aquanickel(II)

2006 ◽  
Vol 62 (4) ◽  
pp. m728-m730
Author(s):  
Yang-Jun Ding ◽  
Yu-Xi Sun ◽  
Nian-Wei Zhang
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Water Molecule ◽  
Title Compound ◽  
Three Dimensional ◽  
Apical Position ◽  
Pyramidal Geometry ◽  
Dimensional Network ◽  
Coordinated Water ◽  
Square Pyramidal Geometry

The title compound, [Ni(C2H5NO2)2(H2O)], is a mononuclear nickel(II) complex. The NiII atom is five-coordinated by two N atoms and two O atoms from two glycinate ligands in basal plane positions, and by one O atom from a coordinated water molecule in the apical position, forming a slightly distorted square-pyramidal geometry. In the crystal structure, molecules are linked through intermolecular N—H...O and O—H...O hydrogen bonds, forming a three-dimensional network.

scholarly journals Crystal structure of tetrakis(isonicotinamide-κN)bis(thiocyanato-κN)cobalt(II)–isonicotinamide–ethanol (1/2/1)

2016 ◽  
Vol 72 (8) ◽  
pp. 1077-1080 ◽  
Author(s):  
Tristan Neumann ◽  
Inke Jess ◽  
Christian Näther
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Solvent Molecule ◽  
Three Dimensional ◽  
Asymmetric Unit ◽  
Hydrogen Bonding Interactions ◽  
Dimensional Network ◽  
Solvent Molecules

The asymmetric unit of the title compound, [Co(NCS)2(C6H6N2O)4]·2C6H6N2O·C2H5OH, comprises one CoIIcation, two thiocyanate anions, four coordinating and two solvent isonicotinamide molecules and one ethanol solvent molecule. The CoIIcations are octahedrally coordinated by four N-coordinating isonicotinamide ligands and two terminally N-bonded thiocyanate anions. These discrete complexes are linked by intermolecular N—H...O and N—H...S hydrogen-bonding interactions into a three-dimensional network. The two isonicotinamide and the ethanol solvent molecules are embedded in channels of this network and are linked through further N—H...O and N—H...N hydrogen bonds to the network. The ethanol solvent molecule is disordered over two sets of sites (occupancy ratio 0.6:0.4).

Aqua[3-carboxy-2-(3,5-dibromo-2-oxidobenzylamino-κ2 N,O)propanoato-κO 1](dimethylformamide-κO)copper(II) dimethylformamide solvate monohydrate

2007 ◽  
Vol 63 (11) ◽  
pp. m2631-m2632 ◽  
Author(s):  
Li-Xia Jin ◽  
Shu-Hua Zhang ◽  
Zheng Liu ◽  
Guang-Zhao Li
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Three Dimensional ◽  
Aqua Ligand ◽  
Water Molecules ◽  
Supramolecular Network ◽  
Apical Position ◽  
Pyramidal Geometry ◽  
Square Pyramidal Geometry

In the title compound, [Cu(C11H7Br2NO5)(C3H7NO)(H2O)]·C3H7NO·H2O, the CuII atom is coordinated in a slightly distorted square-pyramidal geometry defined by two O atoms and one N atom from a 3-carboxy-2-(3,5-dibromo-2-oxidobenzylamino)propanoate ligand, one O atom from a dimethylformamide (DMF) molecule in the basal plane, and by one O atom from an aqua ligand in the apical position. In the crystal structure, the water molecules are linked by O—H...O hydrogen bonds into chains which resemble a pearl necklace. The molecules form a three-dimensional supramolecular network through O—H...O hydrogen bonds and C—H...Br hydrogen bonds.

Bis[μ-bis(imidazol-1-yl)methane]bis[aqua(oxalato)copper(II)] dihydrate

2007 ◽  
Vol 63 (11) ◽  
pp. m2755-m2756 ◽  
Author(s):  
Shouwen Jin ◽  
Daqi Wang
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Water Molecule ◽  
Title Compound ◽  
Dinuclear Complex ◽  
Bridging Ligands ◽  
Oxalate Anion ◽  
Pyramidal Geometry ◽  
Square Pyramidal Geometry

The title compound, [Cu2(C2O4)2(C7H8N4)2(H2O)2]·2H2O, features a centrosymmetric dinuclear complex. The CuII ion adopts a square-pyramidal geometry. It is coordinated by two N atoms from two bis(N-imidazolyl)methane molecules as bridging ligands, two O atoms from one oxalate anion in chelating mode and one water molecule. There are several O—H...O hydrogen bonds in the crystal structure.

scholarly journals Crystal structure of bis{4-bromo-2-[(carbamimidamidoimino)methyl]phenolato-κ3N,N′,O}cobalt(III) nitrate dimethylformamide monosolvate

2016 ◽  
Vol 72 (7) ◽  
pp. 907-911 ◽  
Author(s):  
Elena A. Buvaylo ◽  
Katerina A. Kasyanova ◽  
Olga Yu. Vassilyeva ◽  
Brian W. Skelton
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Crystal Lattice ◽  
Title Compound ◽  
Two Dimensional ◽  
Planar Conformation ◽  
Π Stacking ◽  
Solvent Molecules ◽  
Nitrate Anions

The title compound, [Co(C8H8BrN4O)2]NO3·C3H7NO, is formed of discrete [CoL2]+cations, nitrate anions and dimethylformamide (DMF) molecules of crystallization. The cation has no crystallographically imposed symmetry. The ligand molecules are deprotonated at the phenol O atom and octahedrally coordinate the CoIIIatoms through the azomethine N and phenolate O atoms in amerconfiguration. The deprotonated ligand molecules adopt an almost planar conformation. In the crystal lattice, the cations are arranged in layers in theabplane divided by the nitrate anions and solvent molecules. No π–π stacking is observed. All of the amine H atoms are involved in hydrogen bonding to nitrate, DMF or ligand O atoms or to one of the Br atoms, forming two-dimensional networks parallel to (100).

scholarly journals Crystal structure of 5,10,15-triphenyl-20-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)porphyrin

2014 ◽  
Vol 70 (10) ◽  
pp. o1085-o1086
Author(s):  
Mathias O. Senge ◽  
Hans-Georg Eckhardt
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Central Region ◽  
Title Compound ◽  
Ring System ◽  
Compound C ◽  
Porphyrin Macrocycle ◽  
Phenyl Rings ◽  
Supramolecular Chains

In the title compound, C44H37BN4O2, the dihedral angle between the plane of the porphyrin macrocycle ring system [r.m.s. deviation = 0.159 (1) Å] and those of three phenyl rings are 66.11 (4), 74.75 (4) and 57.00 (4)°. The conformational distortion is characterized by a mixture of ruffled, saddle and in-plane distortion modes. In the crystal, the porphyrin molecules are linked by C—H...π interactions into supramolecular chains running along thea-axis direction. A pair of bifurcated N—H...(N,N) hydrogen bonds occur across the central region of the macrocycle.

2-Hydroxy-3-methoxybenzaldehyde (pyridinium-4-ylcarbonyl)hydrazone chloride hemihydrate

2006 ◽  
Vol 62 (5) ◽  
pp. o2043-o2044 ◽  
Author(s):  
Shao-Wen Chen ◽  
Han-Dong Yin ◽  
Da-Qi Wang ◽  
Xia Kong ◽  
Xiao-Fang Chen
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Compound C

The crystal structure of the title compound, C14H14ClN3O3 +·Cl−·0.5H2O, exhibits O—H...O, C—H...O, C—H...Cl, N—H...Cl and O—H...Cl hydrogen bonds. The chloride anions participate in extensive hydrogen bonding with the aminium cations and link molecules through multiple N—H+...Cl− interactions.

scholarly journals 1,1′,3,3′-Tetramesitylquinobis(imidazole)-2,2′-dithione

IUCrData ◽  
2019 ◽  
Vol 4 (9) ◽  
Author(s):  
Jayaraman Selvakumar ◽  
Kuppuswamy Arumugam
Keyword(s):  
Crystal Structure ◽  
Molecular Weight ◽  
Solid State ◽  
Structural Analysis ◽  
Hydrogen Bonds ◽  
Cell Volume ◽  
Title Compound ◽  
Unit Cell Volume ◽  
Density Peaks ◽  
Solvent Molecules

The solid-state structural analysis of the title compound [systematic name: 5,11-disulfanylidene-4,6,10,12-tetrakis(2,4,6-trimethylphenyl)-4,6,10,12-tetraazatricyclo[7.3.0.03,7]dodeca-1(9),3(7)-diene-2,8-dione], C44H44N4O2S2 [+solvent], reveals that the molecule crystallizes in a highly symmetric cubic space group so that one quarter of the molecule is crystallographically unique, the molecule lying on special positions (two mirror planes, two twofold axes and a center of inversion). The crystal structure exhibits large cavities of 193 Å3 accounting for 7.3% of the total unit-cell volume. These cavities contain residual density peaks but it was not possible to unambiguously identify the solvent therein. The contribution of the disordered solvent molecules to the scattering was removed using a solvent mask and is not included in the reported molecular weight. No classical hydrogen bonds are observed between the main molecules.

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