Hexamethylenediammonium bis(saccharinate): supramolecular assembly via hydrogen bonds

The crystal structure of the title salt, C6H18N2 2+·2C7H4NO3S−, contains two crystallographically independent hexamethylenediammonium dications and two independent saccharinate anions; each of the dications occupies a special position on an inversion centre. The extensive hydrogen-bonding system, involving all six `active' H atoms, links the anions and cations into an infinite three-dimensional supramolecular assembly.

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Ethylenediammonium thiophene-2,5-dicarboxylate dihydrate, an acid–base complex with a three-dimensional hydrogen-bonding system

Acta Crystallographica Section E Structure Reports Online ◽

10.1107/s1600536806022343 ◽

2006 ◽

Vol 62 (7) ◽

pp. o2951-o2952 ◽

Cited By ~ 2

Author(s):

Si-Min Wu ◽

Ming Li ◽

Jiang-Feng Xiang ◽

Liang-Jie Yuan ◽

Ju-Tang Sun

Keyword(s):

Crystal Structure ◽

Hydrogen Bonding ◽

Three Dimensional ◽

Water Molecules ◽

Inversion Center ◽

Acid Base ◽

Special Position ◽

Compound C ◽

Bonding System ◽

Hydrogen Bonding System

The crystal structure of the title compound, C2H10N2 2+·C6H2O4S2−·2H2O, is built of ethylenediammonium dications, occupying a special position on an inversion center, thiophene-2,5-dicarboxylate dianions, in a special position on the twofold axis, and water molecules in general positions. All residues are involved in an extensive hydrogen-bonding system, which links them into a three-dimensional supramolecular arrangement.

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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

Acta Crystallographica Section C Crystal Structure Communications ◽

10.1107/s0108270112038322 ◽

2012 ◽

Vol 68 (10) ◽

pp. o405-o407 ◽

Cited By ~ 3

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).

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Crystal structure offac-aquatricarbonyl[(S)-valinato-κ2N,O]rhenium(I)

Acta Crystallographica Section E Crystallographic Communications ◽

10.1107/s2056989016005235 ◽

2016 ◽

Vol 72 (4) ◽

pp. 590-592

Author(s):

Kseniia O. Piletska ◽

Kostiantyn V. Domasevitch ◽

Alexander V. Shtemenko

Keyword(s):

Crystal Structure ◽

Hydrogen Bonding ◽

Title Compound ◽

Three Dimensional ◽

Supramolecular Network ◽

Carbonyl Ligands ◽

Distorted Octahedral Coordination ◽

Bonding System ◽

Distorted Octahedral ◽

Hydrogen Bonding System

In the molecule of the title compound, [Re(C5H10NO2)(CO)3(H2O)], the ReIatom adopts a distorted octahedral coordination sphere defined by one aqua and three carbonyl ligands as well as one amino N and one carboxylate O atom of the chelating valinate anion. The carbonyl ligands are arranged in afac-configuration around the ReIion. In the crystal, an intricate hydrogen-bonding system under participation of two O—H, two N—H and one C—H donor groups and the carboxylate and carbonyl O atoms as acceptor groups contribute to the formation of a three-dimensional supramolecular network.

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The crystal structures of benzylammonium phenylacetate and its hydrate

Acta Crystallographica Section E Crystallographic Communications ◽

10.1107/s2056989019000288 ◽

2019 ◽

Vol 75 (2) ◽

pp. 194-201

Author(s):

David Hess ◽

Peter Mayer

Keyword(s):

Crystal Structure ◽

Hydrogen Bonding ◽

Hydrogen Bonds ◽

Crystal Structures ◽

Phenylacetic Acid ◽

Two Dimensional ◽

Aromatic Rings ◽

Crystal Water ◽

Bonding System ◽

Hydrogen Bonding System

The title compounds benzylammonium phenylacetate, C7H10N+·C8H7O2 − (1), and its monohydrate, C7H10N+·C8H7O2 −·H2O (2), can be obtained by evaporating methanolic solutions containing equimolar amounts of benzylamine and phenylacetic acid in the absence and presence of water, respectively. N—H...O hydrogen bonds in the crystal structure of 1 lead to the formation of hydrophilic channels running along the b-axis direction. The hydrogen-bonding system is best described by fused R 3 4(10) ring patterns, often observed in ammonium carboxylate salts. In 2, the presence of the crystal water leads to the formation of a two-dimensional hydrogen-bonding network. The benzyl moieties in 1 and 2 form hydrophobic layers in the crystal structures with the aromatic rings adopting edge-to-face arrangements.

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Crystal structure of creatininium 5-(2,4-dinitrophenyl)-1,3-dimethylbarbiturate monohydrate: a potential anticonvulsant agent

Acta Crystallographica Section E Crystallographic Communications ◽

10.1107/s2056989016005247 ◽

2016 ◽

Vol 72 (5) ◽

pp. 620-623

Author(s):

Ponnusamy Poornima Devi ◽

Doraisamyraja Kalaivani

Keyword(s):

Crystal Structure ◽

Hydrogen Bonds ◽

Water Molecule ◽

Three Dimensional ◽

Pyrimidine Ring ◽

Membered Ring ◽

Anticonvulsant Agent ◽

The Mean ◽

Anions And Cations ◽

Molecular Salt

In the anion of the title hydrated molecular salt, C4H8N3O+·C12H9N4O7−·H2O [systematic name: 2-amino-1-methyl-4-oxo-4,5-dihydro-1H-imidazol-3-ium 5-(2,4-dinitrophenyl)-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-olate monohydrate], the 2,4-dinitrophenyl ring is inclined to the mean plane of the pyrimidine ring [r.m.s. deviation = 0.37 Å] by 43.24 (8)°. The five-membered ring of the creatininium cation (2-amino-1-methyl-4-oxo-4,5-dihydro-1H-imidazol-3-ium) is essentially planar with an r.m.s. deviation of 0.015 Å. In the crystal, the anions and cations are linkedviaN—H...O hydrogen bonds, forming sheets parallel to theabplane. The sheets are linkedviaO—H...O hydrogen bonds involving the water molecule, forming a three-dimensional framework. Within the framework, there are C—H...O hydrogen bonds present. The title molecular salt displays anticonvulsant and hypnotic activities.

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

Acta Crystallographica Section E Crystallographic Communications ◽

10.1107/s2056989016006691 ◽

2016 ◽

Vol 72 (5) ◽

pp. 751-755 ◽

Cited By ~ 1

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.

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Dilithium disodium nickel(II) cyclohexaphosphate dodecahydrate, Li2Na2NiP6O18·12H2O

Acta Crystallographica Section E Structure Reports Online ◽

10.1107/s1600536812029960 ◽

2012 ◽

Vol 68 (8) ◽

pp. i62-i63 ◽

Cited By ~ 1

Author(s):

Sonia Abid ◽

Salem S. Al-Deyab ◽

Mohamed Rzaigui

Keyword(s):

Crystal Structure ◽

Hydrogen Bonds ◽

Three Dimensional ◽

Chair Conformation ◽

Internal Symmetry ◽

Site Symmetry ◽

Special Position ◽

Tetrahedral Environment ◽

Anionic Charge

The crystal structure of Li2Na2NiP6O18·12H2O is characterized by the presence of six-membered P6O186−phosphate ring anions (internal symmetry -1) having a chair conformation and three different cations,viz.Li+, Na+and Ni2+, to counterbalance the anionic charge. All atoms are in general positions except for nickel, which lies on a special position with site symmetry 2. Lithium has a tetrahedral environment (LiO4), and sodium and nickel have octahedral environments [NaO6and Ni(H2O)6, respectively]. The P6O18rings are linkedviacorner sharing by NaO6octahedra and LiO4tetrahedra to form a three-dimensional framework presenting tunnels running along [010] in which the six-coordinated Ni2+cations are located. The structure is stabilized by a network of O—H...O hydrogen bonds.

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Structure of Hydrated Copper(II) Colchiceine

Australian Journal of Chemistry ◽

10.1071/c98162 ◽

1999 ◽

Vol 52 (4) ◽

pp. 333 ◽

Cited By ~ 4

Author(s):

Maureen F. Mackay ◽

Robert W. Gable ◽

James D. Morrison ◽

Lothar O. Satzke

Keyword(s):

Hydrogen Bonding ◽

Copper Atom ◽

Three Dimensional ◽

Water Molecules ◽

R Factor ◽

Bonding System ◽

Dimensional Network ◽

Square Planar ◽

Hydrogen Bonding System ◽

C 50

Hydrated crystals of copper(II) colchiceine belong to the tetragonal space group P 432I2 with a 13·415(1), c 50·169(8) Å and Z 8. The structure has been refined to a conventional R factor of 0·077 for 4560 observed data. The tropolonic oxygens from two colchiceine molecules are coordinated to the copper atom in this bis-chelated complex to form a square planar arrangement. The sites of three of the waters are clearly defined, but the others are disordered over seven partially occupied sites. An intricate hydrogen-bonding system links the complex and water molecules into a three-dimensional network in the crystal.

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