Dependence of the Distortion of the Square Pyramids in N, N-Dimethylethylenediammonium Pentachloroantimonate(III) on the Geometry of Hydrogen Bonds

2001 ◽  
Vol 56 (6) ◽  
pp. 521-525 ◽  
Author(s):  
Maciej Bujak ◽  
Jacek Zaleski
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Intermolecular Interactions ◽  
Mean Value ◽  
The Other ◽  
Monoclinic System ◽  
Bond Lengths ◽  
Pyramidal Geometry ◽  
The Mean ◽  
Square Pyramidal Geometry

AbstractN ,N-Dimethylethylenediammonium pentachloroantimonate(III) crystallizes in the monoclinic system, in space group P21/c (a = 12.460(2), b = 10.252(2), c = 10.330(2) Å, β = 97.75(3)°, V = 1307.5(4) Å3, Z = 4, dc = 1.997, dm = 1.99(2) g/cm3). The crystal structure of [(CH3)2NH(CH2)2NH3][SbCl5] consists of isolated [SbCl5]2- anions and [(CH3)2NH(CH2)2NH3]2+ cations. The [SbCl5]2- anion has a distorted square pyramidal geometry, presenting one short axial and four long equatorial Sb-Cl bonds. The square pyramids are characteristically stacked one close to the other, parallel to the c axis. The voids between the anionic sublattice are filled by [(CH3)2NH(CH2)2NH3]2+ cations. The five non-equivalent Sb-Cl bond distances within the [SbCl5]2- square pyramid are significantly different. The equatorial Sb-Cl bonds are in the range 2.427(2)-2.968(2) Å, whereas the axial one is 2.384(1) Å long. The study reveals that N-H...C1 hydrogen bonds are responsible for the deformation of equatorial Sb-Cl bonds from the mean value of 2.654(7) Å. Analysis of intermolecular interactions between the [SbCl5]2- pyramids in the structure, reflected in changes of Sb-Cl bond lengths from the values characteristic of non-interacting pyramids, leads to the conclusion that the van der Waals radius of Sb is significantly smaller than that estimated by Pauling.

scholarly journals Crystal structure of zwitterionic 2-[bis(2-methoxyphenyl)phosphaniumyl]-4-methylbenzenesulfonate monohydrate dichloromethane monosolvate

2016 ◽  
Vol 72 (2) ◽  
pp. 229-232
Author(s):  
Hongyang Zhang ◽  
Ge Feng ◽  
Alexander S. Filatov ◽  
Richard F. Jordan
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Intermolecular Interactions ◽  
Title Compound ◽  
Water Molecules ◽  
Sulfonate Group ◽  
Centrosymmetric Dimer ◽  
Bond Lengths ◽  
Compound C

In the title compound, C21H21O5PS·H2O·CH2Cl2, the phosphonium–sulfonate zwitterion has the acidic H atom located on the P atom rather than the sulfonate group. The S—O bond lengths [1.4453 (15)–1.4521 (14) Å] are essentially equal. In the crystal, the water molecules bridge two zwitterionsviaOwater—H...Osulfonatehydrogen bonds into a centrosymmetric dimer. The dimers are further linked by weak CAryl—H...Osulfonatehydrogen bonds into chains extending along [100]. The PH+group is not involved in intermolecular interactions.

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 5-(1-benzofuran-2-yl)-3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-ol

2015 ◽  
Vol 71 (7) ◽  
pp. o492-o493
Author(s):  
A. J. Ravi ◽  
A. C. Vinayaka ◽  
S. Jeyaseelan ◽  
M. P. Sadashiva ◽  
H. C. Devarajegowda
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Three Dimensional ◽  
Ring System ◽  
The Other ◽  
Dihedral Angles ◽  
Compound C ◽  
Dimensional Network ◽  
The Mean

In the title compound, C18H15NO3, the isoxazole moiety adopts a shallow envelope conformation, with the C atom bearing the OH group displaced by 0.148 (1) Å from the mean plane through the other four atoms. The mean plane of this ring (all atoms) subtends dihedral angles of 87.19 (6) and 15.51 (7)° with the benzofuran ring system (r.m.s. deviation = 0.007 Å) and the 4-methylphenyl ring, respectively. In the crystal, molecules are linked by O—H...N hydrogen bonds, generating [001]C(5) chains, with adjacent molecules in the chain related byc-glide symmetry. Weak C—H...O interactions link the chains into a three-dimensional network.

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 tris(3-methyl-1H-pyrazol-1-yl)methane

2015 ◽  
Vol 71 (11) ◽  
pp. o816-o816 ◽  
Author(s):  
Margaret A. Goodman ◽  
M. Scott Goodman ◽  
Alexander Y. Nazarenko ◽  
Ealin N. Patel
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Intermolecular Interactions ◽  
Molecular Crystal ◽  
The Other ◽  
Intramolecular Contact ◽  
Nitrogen Donor ◽  
The Mean ◽  
Title Molecule

The title molecule, C13H16N6, crystallizes from hexane as a molecular crystal with no strong intermolecular interactions (the shortest C—H...N contact is longer than 3.38 Å). A relatively short intramolecular contact (3.09 Å) has a C—H...N angle of 118° which is quite small to be still considered a hydrogen bond. The three pyrazole rings form a propeller-like motif, with one methylpyrazole unit almost perpendicular to the mean plane of the three rings [82.20 (6)°]. The other two methylpyrazole units, with nitrogen donor atoms oriented in opposite directions, are oriented at 67.26 (6) and 72.53 (6)° to the mean plane.

scholarly journals Crystal structure of (pyridine-κN)bis(quinolin-2-olato-κ2N,O)copper(II) monohydrate

2015 ◽  
Vol 71 (2) ◽  
pp. m38-m39
Author(s):  
Benjamin Hawks ◽  
Jingjing Yan ◽  
Prem Basa ◽  
Shawn Burdette
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Water Molecule ◽  
Crystal Lattice ◽  
Copper Complexes ◽  
Title Complex ◽  
Dihedral Angles ◽  
Pyridine Ligand ◽  
Pyramidal Geometry ◽  
Square Pyramidal Geometry

The title complex, [Cu(C9H6NO)2(C5H4N)]·H2O, adopts a slightly distorted square-pyramidal geometry in which the axial pyridine ligand exhibits a long Cu—N bond of 2.305 (3) Å. The pyridine ligand forms dihedral angles of 79.5 (5) and 88.0 (1)° with the planes of the two quinolin-2-olate ligands, while the dihedral angle between the quinoline groups of 9.0 (3)° indicates near planarity. The water molecule connects adjacent copper complexes through O—H...O hydrogen bonds to phenolate O atoms, forming a network interconnecting all the complexes in the crystal lattice.

scholarly journals Crystal structure of bis{μ-1-[(E)-(3-methoxyphenyl)diazenyl]naphthalen-2-olato-κ3N2,O:O}bis({1-[(E)-(3-methoxyphenyl)diazenyl]naphthalen-2-olato-κ2N2,O}copper(II))

2015 ◽  
Vol 71 (12) ◽  
pp. m211-m212 ◽  
Author(s):  
Souheyla Chetioui ◽  
Noudjoud Hamdouni ◽  
Christian G. Bochet ◽  
Jean-Pierre Djukic ◽  
Corinne Bailly
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dinuclear Complex ◽  
Bidentate Ligands ◽  
Complex Molecules ◽  
Pyramidal Geometry ◽  
Crystal Complex ◽  
Square Pyramidal Geometry

The title dinuclear CuIIcomplex, [Cu2(C17H13N2O2)4], is located on an inversion centre. The CuIIatoms are each five-coordinated in a distorted square-pyramidal geometry by two N atoms and two O atoms from two bidentate ligands and one bridging O atom from another ligand. In the dinuclear complex, the Cu...Cu separation is 3.366 (3) Å. In the crystal, complex molecules are linkedviaweak C—H...O hydrogen bonds, forming a layer parallel to (-101).

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 2-isopropyl-5,7′-dimethyl-1′,3′,3a',6′,8a',8b'-hexahydrospiro[cyclohexane-1,6′-furo[3,4-d]imidazo[1,5-b]isoxazol]-8′(7′H)-one

2016 ◽  
Vol 72 (8) ◽  
pp. 1150-1152
Author(s):  
Heithem Abda ◽  
Khaireddine Ezzayani ◽  
Kaiss Aouadi ◽  
Taha Guerfel ◽  
Sebastien Vidal ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
The Other ◽  
Axis Direction ◽  
Envelope Conformation ◽  
Compound C ◽  
The Mean

In the title compound, C17H28N2O3, the isoxazolidine ring adopts an envelope conformation with the O atom deviating from the mean plane of the other four ring atoms by 0.617 (1) Å. In the crystal, molecules are linkedviaweak C—H...O hydrogen bonds, forming chains which extend along theb-axis direction.

scholarly journals The synthesis, crystal structure and Hirshfeld analysis of 4-(3,4-dimethylanilino)-N-(3,4-dimethylphenyl)quinoline-3-carboxamide

2020 ◽  
Vol 76 (2) ◽  
pp. 201-207
Author(s):  
Ligia R. Gomes ◽  
John Nicolson Low ◽  
Fernanda Borges ◽  
Alexandra Gaspar ◽  
Francesco Mesiti
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Surface Analysis ◽  
Intermolecular Interactions ◽  
Pyridine Ring ◽  
Hirshfeld Surface ◽  
Intermolecular Hydrogen Bonds ◽  
Pyramidal Geometry ◽  
Hirshfeld Analysis ◽  
Lattice Energies

The structure of the title quinoline carboxamide derivative, C26H25N3O, is described. The quinoline moiety is not planar as a result of a slight puckering of the pyridine ring. The secondary amine has a slightly pyramidal geometry, certainly not planar. Both intra- and intermolecular hydrogen bonds are present. Hirshfeld surface analysis and lattice energies were used to investigate the intermolecular interactions.

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