Octabutanol(dodecaoxidododecaphenyl[18.4.0]dodecasiloxane)tetracopper(II)tetrasodium(I)

2006 ◽  
Vol 62 (4) ◽  
pp. m705-m707 ◽  
Author(s):  
Christian Bauch ◽  
Larissa Zherlitsyna ◽  
Norbert Auner ◽  
Michael Bolte
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Coordination Mode ◽  
Molecular Conformation ◽  
The Other ◽  
Site Symmetry ◽  
Other Hand ◽  
Square Planar

Molecules of the title compound, [Cu4Na4(C6H5O2Si)12(C4H10O)8], are located on special positions of site symmetry \overline{4}. The Cu atoms are coordinated in a square planar fashion. The Na atoms, on the other hand, show an irregular sixfold coordination mode. The molecular conformation is stabilized by O—H...O hydrogen bonds.

scholarly journals Crystal structure of ethyl 6-(2-fluorophenyl)-4-hydroxy-2-sulfanylidene-4-trifluoromethyl-1,3-diazinane-5-carboxylate

2015 ◽  
Vol 71 (5) ◽  
pp. o268-o269 ◽  
Author(s):  
M. S. Krishnamurthy ◽  
Noor Shahina Begum
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Molecular Conformation ◽  
Three Dimensional ◽  
Pyrimidine Ring ◽  
The Other ◽  
Compound C ◽  
Dimensional Network

In the title compound, C14H14F4N2O3S, the central dihydropyrimidine ring adopts a sofa conformation with the C atom bearing the 2-fluorobenzene ring displaced by 0.596 (3) Å from the other five atoms. The 2-fluorobenzene ring is positioned axially and bisects the pyrimidine ring with a dihedral angle of 70.92 (8)°. The molecular conformation is stabilized by an intramolecular O—H...O hydrogen bond, generating anS(6) ring. The crystal structure features C—H...F, N—H...S and N—H...O hydrogen bonds, which link the molecules into a three-dimensional network.

Tetra-μ2-cyano-κ8 C:N-μ2-2,6-dimethylpyrazine-κ2 N:N′-hexakis(2,6-dimethylpyrazine-κN)octa-μ2-thiocyanato-κ16 N:S-decacopper(I,II)

2006 ◽  
Vol 62 (4) ◽  
pp. m721-m723 ◽  
Author(s):  
Inke Jess ◽  
Christian Näther
Keyword(s):  
Title Compound ◽  
Three Dimensional ◽  
The Other ◽  
Formula Unit ◽  
Asymmetric Unit ◽  
Special Position ◽  
Coordination Network ◽  
Other Hand ◽  
Square Planar

The asymmetric unit of the title compound [Cu8 ICu2 II(CN)4(NCS)8(C6H8N2)7], consists of six crystallographically independent Cu atoms, four thiocyanate anions and two cyanide anions, as well as four 2,6-dimethylpyrazine ligands. Two of the six Cu atoms and one of the four 2,6-dimethylpyrazine ligands are located on centres of inversion. The ligand on a special position is therefore disordered due to symmetry. Altogether there are two copper(II) and eight copper(I) cations in the formula unit. The copper(II) cations are each coordinated by four N atoms within a slightly distorted square-planar coordination. The copper(I) cations, on the other hand, are coordinated by four ligands or anions within distorted tetrahedra. From this arrangement, a three-dimensional coordination network is formed.

N-(4-Methoxyphenyl)-N′-(4-methylbenzoyl)thiourea

2007 ◽  
Vol 63 (11) ◽  
pp. o4225-o4225
Author(s):  
S. Aminah A. Razis ◽  
M. Sukeri M. Yusof ◽  
Bohari M. Yamin
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Molecular Conformation ◽  
Crystal Packing ◽  
The Other ◽  
Compound C

In the title compound, C16H16N2O2S, one of the C—N bonds adopts a transoid configuration, whereas the other C—N bond is cisoid configured. The molecular conformation is stabilized by an intramolecular N—H...O hydrogen bond, and the crystal packing is stabilized by intermolecular N—H...S and C—H...O hydrogen bonds, forming chains parallel to the a axis.

scholarly journals 3-Oxo-N′,2-diphenyl-2,3-dihydro-1H-pyrazole-4-carbohydrazide

2014 ◽  
Vol 70 (7) ◽  
pp. o819-o820
Author(s):  
Joel T. Mague ◽  
Shaaban K. Mohamed ◽  
Mehmet Akkurt ◽  
Eman A. Ahmed ◽  
Mustafa R. Albayati
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Phenyl Ring ◽  
Molecular Conformation ◽  
Phenyl Group ◽  
Pyrazole Ring ◽  
The Other ◽  
Compound C

In the title compound, C16H14N4O2, the pyrazole ring makes a dihedral angle of 10.49 (8)° with its N-bound phenyl group, while it is nearly perpendicular to the other phenyl ring [dihedral angle = 88.47 (5)°]. The molecular conformation is stabilized by intramolecular C—H...O and N—H...O hydrogen bonds. In the crystal, the packing involves sheets of molecules parallel to (100) linked by N—H...O hydrogen bonds. A C—H...O interaction is also observed.

scholarly journals cis-Dichloridobis(quinoline-κN)platinum(II) nitromethane monosolvate

2012 ◽  
Vol 68 (4) ◽  
pp. m491-m491 ◽  
Author(s):  
Kwang Ha
Keyword(s):  
Hydrogen Bonds ◽  
Metal Complex ◽  
Dihedral Angle ◽  
Title Compound ◽  
Solvent Molecule ◽  
The Other ◽  
Maximum Deviation ◽  
Central Plane ◽  
Square Planar ◽  
Planar Environment

In the title compound, [PtCl2(C9H7N)2]·CH3NO2, the PtIIcation is four-coordinated in an essentially square-planar environment by two N atoms from two quinoline ligands and two Cl−anions. One of the nearly planar quinoline ligands [maximum deviations = 0.042 (6) and 0.018 (7) Å] is almost perpendicular to the PtCl2N2unit [maximum deviation = 0.024 (3) Å], making a dihedral angle of 89.6 (1)°, whereas the other is slightly inclined to the central plane with a dihedral angle of 74.1 (1)°. The dihedral angle between the quinoline ligands is 88.3 (2)°. In the crystal, each solvent molecule is linked to the metal complex by weak intermolecular C—H...O hydrogen bonds.

Synthesis, Crystal Structure And Spectroscopic Studies Of A Mixed Ligand Copper (Ii) Complex: Trans-Bis(Succinimidato)-Bis(Benzylamino)Cu(Ii)

2006 ◽  
Vol 61 (8) ◽  
pp. 979-982 ◽  
Author(s):  
Murat Taş ◽  
Hanife Saraçoğlu ◽  
Hümeyra Bati ◽  
Nezihe Çalışkan ◽  
Orhan Büyükgüngör
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Spectroscopic Studies ◽  
Mixed Ligand ◽  
Interplanar Angle ◽  
Space Group ◽  
Square Planar

The molecules of the title compound, [Cu(C11H13N2O2)2], lie across centres of inversion in space group P21/c and are linked by intermolecular N-H···O and C-H···O hydrogen bonds. The central Cu atom has a slightly distorted square-planar coordination comprised of four N atoms. Cu-N bond distances are 1.975(2) and 2.020(2) Å . The interplanar angle between the phenyl and succinimidato ring is 87.34(10)°

scholarly journals 2-[2-(2-Nitrophenyl)-4,5-diphenyl-1H-imidazol-1-yl]-3-phenylpropan-1-ol

2014 ◽  
Vol 70 (5) ◽  
pp. o621-o621
Author(s):  
Yizhen Li ◽  
Pu Mao ◽  
Yongmei Xiao ◽  
Liangru Yang ◽  
Lingbo Qu
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Molecular Conformation ◽  
Imidazole Ring ◽  
Dihedral Angles ◽  
Axis Direction ◽  
Π Interactions ◽  
Compound C

In the title compound, C30H25N3O3, the central imidazole ring forms dihedral angles of 77.34 (6), 12.56 (6) and 87.04 (6)°, respectively, with theo-nitrobenzene ring and the phenyl substituents in the 5- and 4-positions. The molecular conformation is stabilized by weak intramolecular C—H...π interactions. In the crystal, molecules are linked by O—H...N hydrogen bonds, forming chains running parallel to theb-axis direction.

Distinguishment of Weak Interactions of Hydrogen Atoms Bound to Carbon Atoms: X-Ray Crystal Structural and Hirshfeld Surface Analyses of 2-Hydroxy-7-methoxy-3-(2,4,6-trimethylbenzoyl)naphthalene with the 2-Methoxylated Homologue

2021 ◽  
Vol 19 ◽  
Author(s):  
Kikuko Iida ◽  
Toyokazu Muto ◽  
Miyuki Kobayashi ◽  
Hiroaki Iitsuka ◽  
Kun Li ◽  
...  
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Molecular Conformation ◽  
Weak Interactions ◽  
Carbonyl Oxygen ◽  
Hirshfeld Surface ◽  
Molecular Surface ◽  
Hydrogen Atoms ◽  
X Ray ◽  
Classical Hydrogen Bond

Abstract: X-ray crystal and Hirshfeld surface analyses of 2-hydroxy-7-methoxy-3-(2,4,6-trimethylbenzoyl)naphthalene and its 2-methoxylated homologue show quantitatively and visually distinct molecular contacts in crystals and minute differences in the weak intermolecular interactions. The title compound has a helical tubular packing, where molecules are piled in a two-folded head-to-tail fashion. The homologue has a tight zigzag molecular string lined up behind each other via nonclassical intermolecular hydrogen bonds between the carbonyl oxygen atom and the hydrogen atom of the naphthalene ring. The dnorm index obtained from the Hirshfeld surface analysis quantitatively demonstrates stronger molecular contacts in the homologue, an ethereal compound, than in the title compound, an alcohol, which is consistent with the higher melting temperature of the former than the latter. Stabilization through the significantly weak intermolecular nonclassical hydrogen bonding interactions in the homologue surpasses the stability imparted by the intramolecular C=O…H–O classical hydrogen bonds in the title compound. The classical hydrogen bond places the six-membered ring in the concave of the title molecule. The hydroxy group opposingly disturbs the molecular aggregation of the title compound, as demonstrated by the distorted H…H interactions covering the molecular surface, owing to the rigid molecular conformation. The position of effective interactions predominate over the strength of the classical/nonclassical hydrogen bonds in the two compounds.

scholarly journals trans-Dichloridobis(4-methoxyaniline-κN)palladium(II)

2009 ◽  
Vol 65 (6) ◽  
pp. m673-m673 ◽  
Author(s):  
Volodimir Bon ◽  
Svitlana Orysyk ◽  
Vasyl Pekhnyo
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Planar Geometry ◽  
Coordination Environment ◽  
Square Planar ◽  
A Chain

In the title compound, [PdCl2(C7H9NO)2], the Pd atom is situated on a crystallographic centre of inversion. The coordination environment of the Pd atom shows a slightly distorted square-planar geometry. The crystal structure exhibits weak intermolecular Pd...Cl interactions, with Pd...Cl distances of 3.6912 (6) Å. A chain-like arrangement of molecules realized by intermolecular N—H...Cl hydrogen bonds is observed along [010].

scholarly journals 1,4a,7-Trimethyl-7-vinyl-1,2,3,4,4a,4b,5,6,7,8,10,10a-dodecahydrophenanthrene-1-carboxylic acid

2009 ◽  
Vol 65 (6) ◽  
pp. o1429-o1429
Author(s):  
Zhen-Dong Zhao ◽  
Yu-Xiang Chen ◽  
Yu-Min Wang ◽  
Liang-Wu Bi
Keyword(s):  
Hydrogen Bonding ◽  
Carboxylic Acid ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Molecular Conformation ◽  
Slash Pine ◽  
Carboxyl Groups ◽  
Isopimaric Acid ◽  
Hydrogen Bonding Interactions ◽  
Cyclohexene Ring

The title compound, also known as isopimaric acid, C20H30O2, was isolated from slash pine rosin. There are two unique molecules in the unit cell. The two cyclohexane rings have classical chair conformations. The cyclohexene ring represents a semi-chair. The molecular conformation is stabilized by weak intramolecular C—H...O hydrogen-bonding interactions. The molecules are dimerized through their carboxyl groups by O—H...O hydrogen bonds, formingR22(8) rings.

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