Topological Correspondence Between Crystal Structure of 2,4,6-Trimethylbenzene-1,3,5-tris(methanaminium) 2,4,6-Trimethylbenzene-1,3,5-triacetate and Cesium Chloride

2000 ◽  
Vol 65 (10) ◽  
pp. 1587-1596 ◽  
Author(s):  
Jaroslav Podlaha ◽  
Ivana Císařová ◽  
Daniel Alexander ◽  
Petr Holý ◽  
Tomáš Kraus ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Solid State ◽  
Hydrogen Bonds ◽  
Self Assembly ◽  
Three Dimensional ◽  
Cesium Chloride ◽  
Dimensional Network ◽  
Network Of Hydrogen Bonds

Solid-state self-assembly of 2,4,6-trimethylbenzene-1,3,5-tris(methanaminium) 2,4,6-trimethylbenzene-1,3,5-triacetate is mediated by hydrogen bonding. It gives rise to three-dimensional network of hydrogen bonds in which each trication is coordinated with eight trianions and vice versa. The resulting crystal structure topologically corresponds to the simple inorganic cesium chloride type.

scholarly journals Crystal structure and hydrogen bonding in the water-stabilized proton-transfer salt brucinium 4-aminophenylarsonate tetrahydrate

2016 ◽  
Vol 72 (5) ◽  
pp. 751-755 ◽  
Author(s):  
Graham Smith ◽  
Urs D. Wermuth
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonding ◽  
Hydrogen Bonds ◽  
Proton Transfer ◽  
Network Structure ◽  
Three Dimensional ◽  
Water Molecules ◽  
Arsanilic Acid ◽  
Dimensional Network

In the structure of the brucinium salt of 4-aminophenylarsonic acid (p-arsanilic acid), systematically 2,3-dimethoxy-10-oxostrychnidinium 4-aminophenylarsonate tetrahydrate, (C23H27N2O4)[As(C6H7N)O2(OH)]·4H2O, the brucinium cations form the characteristic undulating and overlapping head-to-tail layered brucine substructures packed along [010]. The arsanilate anions and the water molecules of solvation are accommodated between the layers and are linked to them through a primary cation N—H...O(anion) hydrogen bond, as well as through water O—H...O hydrogen bonds to brucinium and arsanilate ions as well as bridging water O-atom acceptors, giving an overall three-dimensional network structure.

scholarly journals The effect of hydrogen bonding on the conformations of 2-(1H-indol-3-yl)-2-oxoacetamide and 2-(1H-indol-3-yl)-N,N-dimethyl-2-oxoacetamide

2012 ◽  
Vol 68 (10) ◽  
pp. o405-o407 ◽  
Author(s):  
Vijayakumar N. Sonar ◽  
Sean Parkin ◽  
Peter A. Crooks
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Carbonyl Groups ◽  
Single Bond ◽  
Torsion Angles ◽  
Bonding System ◽  
Dimensional Network ◽  
Hydrogen Bonding System

In the title compounds, C10H8N2O2, (I), and C12H12N2O2, (II), the two carbonyl groups are oriented with torsion angles of −149.3 (3) and −88.55 (15)°, respectively. The single-bond distances linking the two carbonyl groups are 1.528 (4) and 1.5298 (17) Å, respectively. In (I), the molecules are linked by an elaborate system of N—H...O hydrogen bonds, which form adjacentR22(8) andR42(8) ring motifs to generate a ladder-like construct. Adjacent ladders are further linked by N—H...O hydrogen bonds to build a three-dimensional network. The hydrogen bonding in (II) is far simpler, consisting of helical chains of N—H...O-linked molecules that follow the 21screw of thebaxis. It is the presence of an elaborate hydrogen-bonding system in the crystal structure of (I) that leads to the different torsion angle for the orientation of the two adjacent carbonyl groups from that in (II).

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).

scholarly journals Crystal structure of bis(4-benzoylpyridine-κN)bis(methanol-κO)bis(thiocyanato-κN)nickel(II) methanol monosolvate

2019 ◽  
Vol 75 (2) ◽  
pp. 299-303 ◽  
Author(s):  
Carsten Wellm ◽  
Christian Näther
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Hydrogen Bonds ◽  
Powder Diffraction ◽  
Three Dimensional ◽  
Asymmetric Unit ◽  
X Ray ◽  
Hydrogen Bonding Interactions ◽  
Dimensional Network ◽  
Pure Phase

The asymmetric unit of the title compound, [Ni(NCS)2(C12H9NO)2(CH3OH)2]·CH3OH, comprises one NiII cation, two thiocyanate anions, two 4-benzoylpyridine coligands, two coordinating, as well as one non-coordinating methanol molecule. The NiII cation is coordinated by two terminally N-bonded thiocyanate anions, the N atoms of two 4-benzoylpyridine coligands and the O atoms of two methanol ligands within a slightly distorted octahedron. Individual complexes are linked by intermolecular O—H...S hydrogen bonding into chains parallel to [010] that are further connected into layers parallel to (10\overline{1}) by C—H...S hydrogen bonds. Additional C—H...O hydrogen-bonding interactions lead to the formation of a three-dimensional network that limits channels extending parallel to [010] in which the non-coordinating methanol molecules are located. They are hydrogen-bonded to the coordinating methanol molecules. X-ray powder diffraction revealed that the compound could not be prepared as a pure phase.

Crystal Structure of Diethylammonium p-Aminobenzoate (Nevanide)

1999 ◽  
Vol 52 (6) ◽  
pp. 625 ◽  
Author(s):  
Graham Smith ◽  
Colin H. L. Kennard ◽  
Karl A. Byriel
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Hydrogen Bonds ◽  
Ion Pairs ◽  
Three Dimensional ◽  
The Other ◽  
Monoclinic Space Group ◽  
Dimensional Network ◽  
A Cell ◽  
Amine Groups

The crystal structure of Nevanide (diethylammonium p-aminobenzoate) has been determined and refined to a residual R 0·055 for 2797 observed reflections. Crystals are monoclinic, space group C 2/c, with 32 ion pairs in a cell with dimensions a 29·510(6), b 17·150(1), c 20·473(5) Å, β 115·153(9)°. The structure is made up of a network of hydrogen-bonded ions; in this network the 4-aminobenzoate anions form a primary cyclic tetramer unit in which the amine groups of two residues are linked tail to tail through hydrogen bonds to single carboxylate oxygens of the other two residues. All oxygens are then linked peripherally to layers of diethylammonium cations by strong hydrogen bonding, with all possible hydrogen bonding sites utilized, giving a three-dimensional network array.

scholarly journals Crystal structure of bis(2-methyl-1H-imidazol-3-ium) dihydroxidobis(oxalato-κ2O1,O2)stannate(IV) monohydrate

2016 ◽  
Vol 72 (3) ◽  
pp. 355-357 ◽  
Author(s):  
Mouhamadou Birame Diop ◽  
Libasse Diop ◽  
Laurent Plasseraud ◽  
Thierry Maris
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonding ◽  
Hydrogen Bonds ◽  
Water Molecule ◽  
Three Dimensional ◽  
Organic Cations ◽  
Asymmetric Unit ◽  
Dimensional Network

In the structure of the hydrated title salt, (C4H7N2)2[Sn(C2O4)2(OH)2]·H2O, the asymmetric unit comprises one stannate(IV) dianion, two organic cations and one water molecule of crystallization. The [Sn(C2O4)2(OH)2]2−dianion consists of an SnIVatom chelated by two oxalate anions and coordinated by two OH−ligands in acisoctahedral arrangement. Neighbouring anions are connected through O—H...O hydrogen bonds between hydroxide groups and non-coordinating oxalate O atoms into layers expanding parallel to (100). In addition, cations and anions are linked through N—H...O hydrogen bonds, and the water molecule bridges two anions with two O—H...O hydrogen bonds and is also the acceptor of an N—H...O hydrogen bond with one of the cations. Weak C—H...O hydrogen bonds are also observed. The intricate hydrogen bonding leads to the formation of a three-dimensional network.

scholarly journals Crystal structure of bis(1,3-diaminopropane-κ2N,N′)bis[2-(4-nitrophenyl)acetato-κO]cadmium

2016 ◽  
Vol 72 (2) ◽  
pp. 226-228
Author(s):  
Ian M. Rahn ◽  
Carlos L. Crawford ◽  
Zerihun Assefa ◽  
Jeffery Hendrich ◽  
Richard E. Sykora
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Hydrogen Bonds ◽  
Network Structure ◽  
Layered Structure ◽  
Three Dimensional ◽  
Amino Groups ◽  
Coordination Environment ◽  
Hydrogen Bonding Interactions ◽  
Dimensional Network

In the structure of the title compound, [Cd(C8H6NO4)2(C3H10N2)2], the CdIIatom is located on a center of symmetry with one independent Cd—O distance of 2.3547 (17) Å and two Cd—N distances of 2.3265 (18) and 2.3449 (19) Å. The CdIIatom has an overall octahedral coordination environment. Several types of hydrogen-bonding interactions are evident. Both intra- and intermolecular interactions occur between the amino groups and the O atoms of the acetate group. These N—H...O hydrogen bonds lead to a layered structure extending parallel to thebcplane. In addition, weak intermolecular C—H...O interactions involving the nitro groups exist, leading to the formation of a three-dimensional network structure.

scholarly journals Crystal structure of (3,5-dimethyl-1H-pyrrol-2-yl)diphenylphosphine oxide

2017 ◽  
Vol 73 (8) ◽  
pp. 1268-1270
Author(s):  
Sung Kwon Kang ◽  
Eung Man Choi ◽  
Kyung-sun Son
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Hydrogen Bonds ◽  
Rotation Axis ◽  
Three Dimensional ◽  
Ethylene Oligomerization ◽  
Van Der Waals Interactions ◽  
Diphenylphosphine Oxide ◽  
Compound C ◽  
Dimensional Network

The title compound, C18H18NOP, was obtained during a search for new P,N-containing ligands with the potential to generate precatalysts with chromium(III) for selective ethylene oligomerization. In the crystal, mutual pairs of N—H...O=P hydrogen bonds link two molecules into a dimer with individual molecules related by a twofold rotation axis. The P=O bond length of 1.4740 (15) Å is not elongated although the O atom is involved in hydrogen bonding. The crystal structure is further stabilized by van der Waals interactions between the dimers, linking the molecules into a three-dimensional network structure.

scholarly journals Crystal structure of 5-[(4-carboxybenzyl)oxy]isophthalic acid

2016 ◽  
Vol 72 (8) ◽  
pp. 1219-1222
Author(s):  
Md. Serajul Haque Faizi ◽  
Musheer Ahmad ◽  
Akram Ali ◽  
Vadim A. Potaskalov
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Three Dimensional ◽  
Molecular Shape ◽  
Isophthalic Acid ◽  
Compound C ◽  
Dimensional Network ◽  
Benzene Rings

The molecular shape of the title compound, C16H12O7, is bent around the central CH2—O bond. The two benzene rings are almost perpendicular to one another, making a dihedral angle of 87.78 (7)°. In the crystal, each molecule is linked to three others by three pairs of O—H...O hydrogen bonds, forming undulating sheets parallel to thebcplane and enclosingR22(8) ring motifs. The sheets are linked by C—H...O hydrogen bonds and C—H...π interactions, forming a three-dimensional network.

scholarly journals Crystal structure of 2-bromo-1,4-dihydroxy-9,10-anthraquinone

2014 ◽  
Vol 70 (10) ◽  
pp. o1130-o1130 ◽  
Author(s):  
Wataru Furukawa ◽  
Munenori Takehara ◽  
Yoshinori Inoue ◽  
Chitoshi Kitamura
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Three Dimensional ◽  
Stacking Interactions ◽  
Compound C ◽  
Π Stacking ◽  
Dimensional Network

In an attempt to brominate 1,4-dipropoxy-9,10-anthraquinone, a mixture of products, including the title compound, C14H7BrO4, was obtained. The molecule is essentially planar (r.m.s. deviation = 0.029 Å) and two intramolecular O—H...O hydrogen bonds occur. In the crystal, the molecules are linked by weak C—H...O hydrogen bonds, Br...O contacts [3.240 (5) Å], and π–π stacking interactions [shortest centroid–centroid separation = 3.562 (4) Å], generating a three-dimensional network.

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