scholarly journals Dichlorido(5,10,15,20-tetraphenylporphyrinato-κ4N)antimony(V) hexachloridoantimonate(V)

2014 ◽  
Vol 70 (7) ◽  
pp. m256-m257
Author(s):  
Raoudha Soury ◽  
Mohamed Salah Belkhiria ◽  
Michel Giorgi ◽  
Habib Nasri
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Complex Cation ◽  
Chloride Ions ◽  
Maximum Deviation ◽  
Inversion Center ◽  
Asymmetric Unit ◽  
Bond Lengths ◽  
Rhombic Distortion

The asymmetric unit of the title compound, [Sb(C44H28N4)Cl2][SbCl6], consists of one half of an antimony(V) tetraphenylporphyrin complex cation and one half of an hexachloridoantimonate(V) anion. In the complex cation, the SbVatom lies on an inversion center and is octahedrally coordinated by four N atoms from a macrocyclic tetraphenylporphyrinate ligand and two chloride ions. The complex cation has approximately a planar core with a maximum deviation of 0.018 (5) Å from the porphyrin mean plane. The average Sb—N distance is 2.062 (11) Å, while the Sb—Cl distance is 2.355 (1) Å. The SbVatom of the anion is also located on an inversion center. The [SbCl6]−octahedron exhibits rhombic distortion characterized by the Sb—Cl bond lengths [2.311 (3), 2.374 (2) and 2.393 (4) Å]. In the crystal, the cations and anions are linked C—H... Cl hydrogen bonds, forming a layer parallel to (211).

scholarly journals Hexaaquanickel(II) dihydrogen hypodiphosphate

2013 ◽  
Vol 69 (12) ◽  
pp. i83-i83 ◽  
Author(s):  
Mimoza Gjikaj ◽  
Peng Wu ◽  
Niels-Patrick Pook
Keyword(s):  
Hydrogen Bonds ◽  
Coordination Sphere ◽  
Title Compound ◽  
Complex Cation ◽  
Three Dimensional ◽  
Octahedral Coordination ◽  
Inversion Center ◽  
Asymmetric Unit ◽  
Dimensional Network ◽  
Medium Strength

The asymmetric unit of the title compound, [Ni(H2O)6](H2P2O6), contains one-half of the hexaaquanickel(II) cation and one-half of the dihydrogen hypodiphosphate anion. In the complex cation, the Ni2+atom is located on an inversion center and has an octahedral coordination sphere. The P—P distance in the centrosymmetric anion is 2.1853 (7) Å. In the crystal, discrete [Ni(H2O)6]2+cations and (H2P2O6)2−anions are stacked in columns parallel to thecaxis and are linked into a three-dimensional network by medium-strength O—H...O hydrogen bonds.

6-Bromoindigo dye

2012 ◽  
Vol 68 (4) ◽  
pp. o160-o163 ◽  
Author(s):  
David J. Szalda ◽  
Keith Ramig ◽  
Olga Lavinda ◽  
Zvi C. Koren ◽  
Lou Massa
Keyword(s):  
Density Functional Theory ◽  
Quantum Theory ◽  
Hydrogen Bonds ◽  
Density Functional ◽  
Stacking Interactions ◽  
Inversion Center ◽  
Asymmetric Unit ◽  
Functional Theory ◽  
Bond Lengths ◽  
Type C

6-Bromoindigo (MBI) [systematic name: 6-bromo-2-(3-oxo-2,3-dihydro-1H-indol-2-ylidene)-2,3-dihydro-1H-indol-3-one], C16H9BrN2O2, crystallizes with one disordered molecule in the asymmetric unit about a pseudo-inversion center, as shown by the Br-atom disorder of 0.682 (3):0.318 (3). The 18 indigo ring atoms occupy two sites which are displaced by 0.34 Å from each other as a result of this packing disorder. This difference in occupancy factors results in each atom in the reported model used to represent the two disordered sites being 0.08 Å from the higher-occupancy site and 0.26 Å from the lower-occupancy site. Thus, as a result of the disorder, the C—Br bond lengths in the disordered components are 0.08 and 0.26 Å shorter than those found in 6,6′-dibromoindigo (DBI) [Süsse & Krampe (1979).Naturwissenschaften,66, 110], although the distances within the indigo ring are similar to those found in DBI. The crystals are also twinned by merohedry. Stacking interactions and hydrogen bonds are similar to those found in the structures of indigo and DBI. In MBI, an interaction of the type C—Br...C replaces the C—Br...Br interactions found in DBI. The interactions in MBI were calculated quantum mechanically using density functional theory and the quantum theory of atoms in molecules.

scholarly journals Bis(1,3-thiazol-2-aminium) hexachloridostannate(IV)

2014 ◽  
Vol 70 (7) ◽  
pp. m269-m269 ◽  
Author(s):  
Ruiting Xue ◽  
Lingmin Kong
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
General Position ◽  
Three Dimensional ◽  
Inversion Center ◽  
Asymmetric Unit ◽  
Electrostatic Forces ◽  
Compound C

The asymmetric unit of the title compound, (C3H5N2S)2[SnCl6], contains one cation in a general position and one-half of the dianion situated on an inversion center. The geometry of the [SnCl6]2−dianion is almost regular octahedral. In the crystal, weak N—H...Cl and N—H...S hydrogen bonds and electrostatic forces link cations and anions into a three-dimensional framework.

scholarly journals 1,1′-(Ethane-1,2-diyl)bis[3-(4-chlorobenzoyl)thiourea]

IUCrData ◽  
2016 ◽  
Vol 1 (6) ◽  
Author(s):  
Salima M. Abusaadiya ◽  
Bohari M. Yamin ◽  
Fadzlee Ngatiman ◽  
Siti Aishah Hasbullah
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Inversion Center ◽  
Asymmetric Unit ◽  
Axis Direction ◽  
Compound C ◽  
Ethylene Group

The title compound, C18H16Cl2N4O2S2, consists of two benzoylthioureido groups connected by an ethylene group. The asymmetric unit consists of one half of the molecule which lies about an inversion center. Both thiourea moieties maintain theirtransgeometry. The structure is stabilized by intermolecular N—H...S hydrogen bonds that form chains along theb-axis direction.

(E)-2-Bromo-4,5-dimethoxybenzaldehyde oxime

2006 ◽  
Vol 62 (5) ◽  
pp. o1946-o1947
Author(s):  
Xiang Li ◽  
Da-Min Tian
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Crystal Packing ◽  
Stacking Interactions ◽  
Asymmetric Unit ◽  
Bond Lengths ◽  
Compound C ◽  
Π Stacking ◽  
Independent Molecules

The title compound, C9H10BrNO3, which exists as the E isomer, crystallizes with two independent molecules in the asymmetric unit. The bond lengths and angles in both molecules are normal. The crystal packing is stabilized by intermolecular O—H...O hydrogen bonds, which link the molecules into circular tetramers, and by weak π–π stacking interactions.

scholarly journals Dichlorido(5,10,15,20-tetraphenylporphyrinato-κ4 N)antimony(V) hemi{di-μ-chlorido-bis[trichloridoantimonate(III)]} dichloromethane monosolvate

2012 ◽  
Vol 68 (6) ◽  
pp. m717-m718 ◽  
Author(s):  
Raoudha Soury ◽  
Mohamed Sahah Belkhiria ◽  
Habib Nasri ◽  
Masood Parvez
Keyword(s):  
Complex Cation ◽  
Solvent Molecule ◽  
Chloride Ions ◽  
Title Complex ◽  
Inversion Center ◽  
Asymmetric Unit ◽  
Counter Anion ◽  
Wide Range ◽  
Solvent Molecules ◽  
Cl Atoms

The asymmetric unit of the title complex, [Sb(C44H28N4)Cl2][Sb2Cl8]0.5·CH2Cl2, is composed of a SbV complex cation wherein the Sb atom is hexacoordinated by four N atoms of the pyrrole rings of the tetraphenylporphyrinate (TPP) ligands and two chloride ions, a half di-μ-chlorido-bis[trichloridoantimonate(III)] counter-anion and a dichloromethane solvent molecule. In the cation, the average Sb—N distance is 2.066 (2) Å, while the Sb—Cl distances are 2.3410 (11) and 2.3639 (12) Å. The central unit of the cation, SbN4C20, is far from being planar, with deviations of atoms from the least-squares plane ranging from −0.110 (4) to 0.124 (4) Å. The Sb—Cl distances in the anion, which is located about an inversion center, lie in the wide range 2.3715 (13)–2.7489 (13) Å, the longest distances being between the Sb and bridging Cl atoms. The crystal structure is stabilized by intermolecular C—H...Cl interactions involving the cations, the anions and the solvent molecules. The solvent molecule is disordered over two orientations in a 0.901 (13):0.099 (13) ratio.

scholarly journals Bis[hexaamminecobalt(III)] pentachloride nitrate

2012 ◽  
Vol 68 (6) ◽  
pp. i45-i46
Author(s):  
Qihui Wu ◽  
Chunyu Du ◽  
Yang Lv ◽  
Guoliang Chen ◽  
Qinhe Pan
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Three Dimensional ◽  
The Other ◽  
Mirror Plane ◽  
Inversion Center ◽  
Asymmetric Unit ◽  
Hydrothermal Conditions ◽  
Nitrate N ◽  
Dimensional Network

The title compound, [Co(NH3)6]2Cl5(NO3), was obtained under hydrothermal conditions. The asymmetric unit contains three Co3+ ions, one lying on an inversion center and the other two located at 2/m positions. All Co3+ ions are six-coordinated by NH3 molecules, forming [Co(NH3)6]3+ octahedra, with Co—N distances in the range 1.945 (4)–1.967 (3) Å. The nitrate N atom and one of the O atoms lie at a mirror plane. Among the Cl− anions, one lies in a general position, one on a twofold axis and two on a mirror plane. N—H...O and N—H...Cl hydrogen bonds link the cations and anions into a three-dimensional network.

scholarly journals 4,4′,6,6′-Tetrabromo-2,2′-[(E,E)-ethane-1,2-diylbis(nitrilomethanylylidene)]diphenol

2012 ◽  
Vol 68 (8) ◽  
pp. o2348-o2348 ◽  
Author(s):  
Hadi Kargar ◽  
Reza Kia ◽  
Amir Adabi Ardakani ◽  
Muhammad Nawaz Tahir
Keyword(s):  
Schiff Base ◽  
Hydrogen Bonds ◽  
Intermolecular Interactions ◽  
Schiff Base Ligand ◽  
Title Compound ◽  
Inversion Center ◽  
Asymmetric Unit ◽  
Tetradentate Schiff Base ◽  
Compound C

The asymmetric unit of the title compound, C16H12Br4N2O2, comprises half of a potential tetradentate Schiff base ligand. The whole molecule is generated by an inversion center located in the middle of the C—C bond of the ethylene segment. There are intramolecular O—H...N hydrogen bonds makingS(6) ring motifs. In the crystal, no significant intermolecular interactions are observed.

scholarly journals Bis(di-2-pyridylmethanediol-κ3N,O,N′)nickel(II) dinitrate

2009 ◽  
Vol 65 (6) ◽  
pp. m678-m679 ◽  
Author(s):  
Seung Man Yu ◽  
Young Joo Song ◽  
Kang Chul Kim ◽  
Cheal Kim ◽  
Youngmee Kim
Keyword(s):  
Hydrogen Bonds ◽  
High Spin ◽  
Title Compound ◽  
Coordination Mode ◽  
Nitrate Anion ◽  
Inversion Center ◽  
Bond Lengths ◽  
Octahedral Environment ◽  
Distorted Octahedral

The title compound, [Ni(C11H10N2O2)2](NO3)2, consists of an NiIIatom coordinated by two tridentate chelating di-2-pyridylmethanediol [(2-py)2C(OH)2] ligands. The NiIIatom is located on an inversion center. The geometry around the NiIIatom is distorted octahedral. Thegem-diol (2-py)2C(OH)2ligand adopts the coordination mode η1:η1:η1. The Ni—N and Ni—O bond lengths are typical for high-spin NiIIin an octahedral environment [Ni—N = 2.094 (2) and 2.124 (3) Å, and Ni—O = 2.108 (3) Å]. One of the hydroxy H atoms is split over two positions which both interact with the nitrate anion. The occurence of different O—H...O hydrogen bonds leads to the formation of a layer parallel to the (101) plane.

scholarly journals Crystal structure of N,N-diisopropyl-4-methylbenzenesulfonamide

2020 ◽  
Vol 76 (7) ◽  
pp. 1018-1021
Author(s):  
Brock A. Stenfors ◽  
Richard J. Staples ◽  
Shannon M. Biros ◽  
Felix N. Ngassa
Keyword(s):  
Crystal Structure ◽  
Solid State ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Functional Group ◽  
Asymmetric Unit ◽  
Isopropyl Group ◽  
Hydrogen Atoms ◽  
Bond Lengths ◽  
Compound C

The synthesis of the title compound, C13H21NO2S, is reported here along with its crystal structure. This compound crystallizes with two molecules in the asymmetric unit. The sulfonamide functional group of this structure features S=O bond lengths ranging from 1.433 (3) to 1.439 (3) Å, S—C bond lengths of 1.777 (3) and 1.773 (4) Å, and S—N bond lengths of 1.622 (3) and 1.624 (3) Å. When viewing the molecules down the S—N bond, the isopropyl groups are gauche to the aromatic ring. On each molecule, two methyl hydrogen atoms of one isopropyl group are engaged in intramolecular C—H...O hydrogen bonds with a nearby sulfonamide oxygen atom. Intermolecular C—H...O hydrogen bonds and C—H...π interactions link molecules of the title compound in the solid state.

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