A one-dimensionalABX3-type coordination polymer:catena-poly[benzyltrimethylammonium [tri-μ-chlorido-cadmium(II)]]

2013 ◽  
Vol 69 (5) ◽  
pp. 491-493 ◽  
Author(s):  
De-Hong Wu ◽  
Lei Jin
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Van Der Waals ◽  
Van Der Waals Forces ◽  
Inorganic Hybrid ◽  
One Dimensional ◽  
Axis Direction ◽  
Hydrogen Bond Interactions ◽  
Hybrid Complex ◽  
Distorted Octahedral

The crystal structure of the title novel one-dimensionalABX3-type organic–inorganic hybrid complex {(C10H16N)[CdCl3]}n, (I), consists of benzyltrimethylammonium (Me3BzN+) cations and one-dimensional anionic {[Cd(μ-Cl)3]−}∞chains. Each CdIIcentre is hexacoordinated by bridging chloride ligands, giving a slightly distorted octahedral Cd(μ-Cl)6arrangement. The octahedra are linked by two opposite shared faces, giving rise to an almost perfectly linear anionic {[Cd(μ-Cl)3]−}∞chain in thea-axis direction. Me3BzN+cations located in the inter-chain spaces balance the charge. Noncovalent static attracting forces (Coulombic and van der Waals forces) and nonclassical C—H...Cl hydrogen-bond interactions stabilize the crystal structure.

1,10-Phenanthrolinium perchlorate

2006 ◽  
Vol 62 (7) ◽  
pp. o2920-o2921 ◽  
Author(s):  
Run-Ling Shang ◽  
Lin Du ◽  
Bai-Wang Sun
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Proton Transfer ◽  
Title Compound ◽  
Van Der Waals ◽  
Van Der Waals Forces ◽  
Hydrogen Bond Interactions ◽  
Compound C

The proton-transfer title compound, C12H9N2 +·ClO4 −, has been obtained from 1,10-phenanthroline and HClO4. In the crystal structure, the molecules stack along the a axis via hydrogen-bond interactions and van der Waals forces.

scholarly journals Crystal structure of bis(2,2′-bipyridine-κ2N,N′)bis(thiocyanato-κN)manganese(II) 2,2′-bipyridine monosolvate

2015 ◽  
Vol 71 (1) ◽  
pp. m3-m4
Author(s):  
Stefan Suckert ◽  
Inke Jess ◽  
Christian Näther
Keyword(s):  
Crystal Structure ◽  
Intermolecular Interactions ◽  
Title Compound ◽  
Van Der Waals ◽  
Van Der Waals Forces ◽  
Asymmetric Unit ◽  
Complex Molecules ◽  
Distorted Octahedral Environment ◽  
Octahedral Environment ◽  
Distorted Octahedral

In the crystal structure of the mononuclear title compound, [Mn(NCS)2(C10H8N2)2]·C10H8N2, the MnIIcation is coordinated in an all-cisconfiguration by two N-bound thiocyanate anions and two 2,2′-bipyridine ligands within a slightly distorted octahedral environment. The asymmetric unit consists of one MnIIcation, two thiocyanate anions and two 2,2′-bipyridine ligands, as well as two non-coordinating 2,2′-bipyridine ligands that are each located on centres of inversion. In the crystal structure, the discrete [Mn(NCS)2(C10H8N2)2] complex molecules are arranged in such a way that cavities are formed, in which the solvent 2,2′-bipyridine molecules are located. Apart from van der Waals forces, there are no remarkable intermolecular interactions present in the crystal structure.

scholarly journals [2,6-Difluoro-3-(pyridin-2-yl-κN)pyridin-4-yl-κC4](pentane-2,4-dionato-κ2O,O′)iridium(III)

2013 ◽  
Vol 69 (11) ◽  
pp. m590-m590
Author(s):  
Kaijun Luo ◽  
Chenyang Zhang ◽  
Juan Jia ◽  
Daibing Luo
Keyword(s):  
Molecular Structure ◽  
Crystal Structure ◽  
Hydrogen Bond ◽  
Stacking Interactions ◽  
Coordination Geometry ◽  
Distorted Octahedral Coordination ◽  
Hydrogen Bond Interactions ◽  
Centroid Distance ◽  
Distorted Octahedral Coordination Geometry ◽  
Distorted Octahedral

The title compound, [Ir(C10H5F2N2)2(C5H7O2)], has a distorted octahedral coordination geometry around the IrIIIatom, retaining thecis-C,C/trans-N,Nchelate disposition in two 2,6-difluoro-3-(pyridin-2-yl-κN)pyridin-4-yl ligands which are nearly mutually perpendicular [dihedral angle = 82.75 (15)°]. The molecular structure is stabilized by weak C—H...O and C—H...F hydrogen-bond interactions. The crystal structure is stabilized by π–π stacking interactions (centroid–centroid distance = 3.951 Å).

scholarly journals Crystal structure of 5-[4-(diethylamino)benzylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione

2015 ◽  
Vol 71 (10) ◽  
pp. 1242-1244
Author(s):  
Egija Stepina ◽  
Dmitrijs Stepanovs ◽  
Inese Mierina ◽  
Mara Jure
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Benzene Ring ◽  
Title Compound ◽  
Crystal Packing ◽  
Van Der Waals ◽  
Van Der Waals Forces ◽  
Boat Conformation ◽  
Compound C ◽  
Planar Part

The title compound, C17H21NO4, consists of substituted Meldrum's acid with a [4-(diethylamino)phenyl]methylidene fragment attached to the fifth position. The heterocycle assumes a distorted boat conformation. The planar part of heterocycle is almost coplanar with the benzene ring due to the presence of a long conjugated system in the molecule. This leads to the formation of C—H...O-type intramolecular contacts. As a result of the absence of hydrogen-bond donors in the structure, the crystal packing is controlled by van der Waals forces and weak C—H...O interactions, which associate the molecules into inversion dimers.

Structural comparison of group 7 tricarbonyl complexes of 2-{[2-(1H-imidazol-4-yl)ethyl]iminomethyl}-5-methylphenolate

2015 ◽  
Vol 71 (6) ◽  
pp. 423-429 ◽  
Author(s):  
Daniel T. Marake ◽  
Penny P. Mokolokolo ◽  
Hendrik G. Visser ◽  
Alice Brink
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Two Dimensional ◽  
Structural Comparison ◽  
Distorted Octahedral Environment ◽  
Hydrogen Bond Interactions ◽  
Octahedral Environment ◽  
Π Stacking ◽  
Distorted Octahedral

Two tricarbonyl complexes of rhenium(I) and manganese(I) coordinated by the ligand 2-{[2-(1H-imidazol-4-yl)ethyl]iminomethyl}-5-methylphenolate are reported,viz. fac-tricarbonyl(2-{[2-(1H-imidazol-4-yl-κN3)ethyl]iminomethyl-κN}-5-methylphenolato-κO)rhenium(I) methanol monosolvate, [Re(C16H14N3O4)(CO)3]·CH3OH, (I), andfac-tricarbonyl(2-{[2-(1H-imidazol-4-yl-κN3)ethyl]iminomethyl-κN}-5-methylphenolato-κO)manganese(I),fac-[Mn(C16H14N3O4)(CO)3], (II), display facial coordination in a distorted octahedral environment. The crystal structure of (I) is stabilized by O—H...O, N—H...O and C—H...O hydrogen-bond interactions, while that of (II) is stabilized by N—H...O hydrogen-bond interactions only. These interactions result in two-dimensional networks and π–π stacking for both structures.

scholarly journals Bis[2-(2-hydroxymethyl)pyridine-κ2N,O](pivalato-κO)copper(II)

2012 ◽  
Vol 68 (8) ◽  
pp. m1055-m1055 ◽  
Author(s):  
M. Mobin Shaikh ◽  
Veenu Mishra ◽  
Priti Ram ◽  
Anil Birla
Keyword(s):  
Hydrogen Bond ◽  
Crystal Packing ◽  
Octahedral Geometry ◽  
Title Complex ◽  
Distorted Octahedral Geometry ◽  
Pyridine Ligands ◽  
Hydrogen Bond Interactions ◽  
Distorted Octahedral

The structure of the centrosymmetric title complex, [Cu(C5H9O2)2(C6H7NO)2], has the CuIIatom on a centre of inversion. The CuIIatom is six-coordinate with a distorted octahedral geometry, defined by the N and O atoms of the chelating 2-(2-hydroxymethyl)pyridine ligands and two carboxylate O atoms from two monodentate pivalate ions. The crystal packing is stabilized by intermolecular C—H...O and intramolecular O—H...O hydrogen-bond interactions.

scholarly journals Crystal structure of 2-(2,4-diphenyl-3-azabicyclo[3.3.1]nonan-9-ylidene)acetonitrile

2015 ◽  
Vol 71 (10) ◽  
pp. o792-o793
Author(s):  
K. Priya ◽  
K. Saravanan ◽  
S. Kabilan ◽  
S. Selvanayagam
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Crystal Packing ◽  
Van Der Waals ◽  
Van Der Waals Forces ◽  
Chair Conformation ◽  
Equatorial Orientation ◽  
Amino Group ◽  
Phenyl Rings

In the title 3-azabicyclononane derivative, C22H22N2, both the fused piperidine and cyclohexane rings adopt a chair conformation. The phenyl rings attached to the central azabicylononane fragment in an equatorial orientation are inclined to each other at 23.7 (1)°. The amino group is not involved in any hydrogen bonding, so the crystal packing is stabilized only by van der Waals forces.

scholarly journals Crystal structures of butyl 2-amino-5-hydroxy-4-(4-nitrophenyl)benzofuran-3-carboxylate and 2-methoxyethyl 2-amino-5-hydroxy-4-(4-nitrophenyl)benzofuran-3-carboxylate

2019 ◽  
Vol 75 (6) ◽  
pp. 880-887 ◽  
Author(s):  
Rosita Diana ◽  
Angela Tuzi ◽  
Barbara Panunzi ◽  
Antonio Carella ◽  
Ugo Caruso
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonding ◽  
Hydrogen Bonds ◽  
Molecular Structures ◽  
Antitumoral Activity ◽  
Space Group ◽  
One Dimensional ◽  
Axis Direction ◽  
Hydrogen Bonding Pattern ◽  
Butyl Group

The title benzofuran derivatives 2-amino-5-hydroxy-4-(4-nitrophenyl)benzofuran-3-carboxylate (BF1), C19H18N2O6, and 2-methoxyethyl 2-amino-5-hydroxy-4-(4-nitrophenyl)benzofuran-3-carboxylate (BF2), C18H16N2O7, recently attracted attention because of their promising antitumoral activity. BF1 crystallizes in the space group P\overline{1}. BF2 in the space group P21/c. The nitrophenyl group is inclined to benzofuran moiety with a dihedral angle between their mean planes of 69.2 (2)° in BF1 and 60.20 (6)° in BF2. A common feature in the molecular structures of BF1 and BF2 is the intramolecular N—H...Ocarbonyl hydrogen bond. In the crystal of BF1, the molecules are linked head-to-tail into a one-dimensional hydrogen-bonding pattern along the a-axis direction. In BF2, pairs of head-to-tail hydrogen-bonded chains of molecules along the b-axis direction are linked by O—H...Omethoxy hydrogen bonds. In BF1, the butyl group is disordered over two orientations with occupancies of 0.557 (13) and 0.443 (13).

(NH4)[B3PO6(OH)3]·0.5H2O

2007 ◽  
Vol 63 (11) ◽  
pp. i185-i185 ◽  
Author(s):  
Wei Liu ◽  
Jingtai Zhao
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Three Dimensional ◽  
Dimensional Structure ◽  
Water Molecules ◽  
Hydrogen Bond Network ◽  
Ammonium Ions ◽  
One Dimensional ◽  
Bond Network ◽  
Solvothermal Conditions

The title compound, ammonium catena-[monoboro-monodihydrogendiborate-monohydrogenphosphate] hemihydrate, was obtained under solvothermal conditions using glycol as the solvent. The crystal structure is constructed of one-dimensional infinite borophosphate chains, which are interconnected by ammonium ions and water molecules via a complex hydrogen-bond network to form a three-dimensional structure. The water molecules of crystallization are disordered over inversion centres, and their H atoms were not located.

scholarly journals 2,4-Dibromo-2,3-dihydro-1H-inden-1-yl acetate

2012 ◽  
Vol 68 (6) ◽  
pp. o1884-o1884 ◽  
Author(s):  
Ísmail Çelik ◽  
Mehmet Akkurt ◽  
Makbule Yilmaz ◽  
Ahmet Tutar ◽  
Ramazan Erenler ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Title Compound ◽  
Van Der Waals ◽  
Van Der Waals Forces ◽  
Stacking Interactions ◽  
Compound C ◽  
Centroid Distance ◽  
Cyclopentene Ring

In the title compound, C11H10Br2O2, the cyclopentene ring fused to the benzene ring adopts an envelope conformation, with the C atom attached to the Br atom as the flap. The crystal structure does not exhibit any classical hydrogen bonds. The molecular packing is stabilized by van der Waals forces and π–π stacking interactions with a centroid–centroid distance of 3.811 (4) Å.

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