scholarly journals Crystal structure ofN,N,N-triethylhydroxylammonium chloride

2016 ◽  
Vol 72 (11) ◽  
pp. 1607-1609
Author(s):  
Boris B. Averkiev ◽  
Bianca C. Valencia ◽  
Yulia A. Getmanenko ◽  
Tatiana V. Timofeeva
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Torsion Angles ◽  
Extended Structure ◽  
Dimensional Network ◽  
Molecular Salt

In the title molecular salt, C6H16NO+·Cl−, two of the C—C—N—O groups in the cation adopt agaucheconformation [torsion angles = 62.86 (11) and −54.95 (13)°] and one ananticonformation [−177.82 (10)°. The cation and anion are linked by an O—H...Cl hydrogen bond. The extended structure displays C—H...Cl and C—H...O hydrogen bonds, resulting in layers lying parallel to the (100) plane: further C—H...Cl contacts connect the sheets into a three-dimensional network.

scholarly journals Crystal structure of 6-chloro-5-isopropylpyrimidine-2,4(1H,3H)-dione

2014 ◽  
Vol 70 (11) ◽  
pp. o1144-o1145
Author(s):  
Nadia G. Haress ◽  
Hazem A. Ghabbour ◽  
Ali A. El-Emam ◽  
C. S. Chidan Kumar ◽  
Hoong-Kun Fun
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Three Dimensional ◽  
Pyrimidine Ring ◽  
Isopropyl Group ◽  
Torsion Angles ◽  
Compound C ◽  
Dimensional Network

In the molecule of the title compound, C7H9ClN2O2, the conformation is determined by intramolecular C—H...O and C—H...Cl hydrogen bonds, which generateS(6) andS(5) ring motifs. The isopropyl group is almost perpendicular to the pyrimidine ring with torsion angles of −70.8 (3) and 56.0 (3)°. In the crystal, two inversion-related molecules are linkedviaa pair of N—H...O hydrogen bonds intoR22(8) dimers; these dimers are connected into chains extending along thebcplaneviaan additional N—H...O hydrogen bond and weaker C—H...O hydrogen bonds. The crystal structure is further stabilized by a weak π–π interaction [3.6465 (10) Å] between adjacent pyrimidine-dione rings arranged in a head-to-tail fashion, producing a three-dimensional network.

scholarly journals Crystal structure and biological evaluation of 4-methylmorpholin-4-ium 1,3-dimethyl-2,6-dioxo-5-(2,4,6-trinitrophenyl)-1,2,3,6-tetrahydropyrimidin-4-olate

2015 ◽  
Vol 71 (6) ◽  
pp. 723-725 ◽  
Author(s):  
Jeganathan Gomathi ◽  
Doraisamyraja Kalaivani
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Chair Conformation ◽  
Biological Evaluation ◽  
Membered Ring ◽  
Dimensional Network ◽  
Hypnotic Activity ◽  
Molecular Salt

The title molecular salt, C5H12NO+·C12H8N5O9−[common name: 4-methylmorpholin-4-ium 1,3-dimethyl-5-(2,4,6-trinitrophenyl)barbiturate], possesses noticeable anticonvulsant and hypnotic activity. In the anion, the 1,3-dimethylbarbituric acid ring and the symmetrically substituted trinitrophenyl ring, linkedviaa C—C bond, are not coplanar but subtend an angle of 44.88 (7)°. The six-membered ring of the 4-methylmorpholin-4-ium cation has a chair conformation. In the crystal, the cation and anion are linkedviaan N—H...O hydrogen bond. The cation–anion units are linked by a number of C—H...O hydrogen bonds, forming a three-dimensional network.

scholarly journals Crystal structure of tris(piperidinium) hydrogen sulfate sulfate

2015 ◽  
Vol 71 (12) ◽  
pp. 1444-1446 ◽  
Author(s):  
Tamara J. Lukianova ◽  
Vasyl Kinzhybalo ◽  
Adam Pietraszko
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Chair Conformation ◽  
Hydrogen Sulfate ◽  
Sulfate Ion ◽  
Sulfate Anion ◽  
Dimensional Network ◽  
Molecular Salt

In the title molecular salt, 3C5H12N+·HSO4−·SO42−, each cation adopts a chair conformation. In the crystal, the hydrogen sulfate ion is connected to the sulfate ion by a strong O—H...O hydrogen bond. The packing also features a number of N—H...O hydrogen bonds, which lead to a three-dimensional network structure. The hydrogen sulfate anion accepts four hydrogen bonds from two cations, whereas the sulfate ion, as an acceptor, binds to five separate piperidinium cations, forming seven hydrogen bonds.

scholarly journals Crystal structure of 4-[(5-methylisoxazol-3-yl)aminosulfonyl]anilinium 3,5-dinitrosalicylate

2015 ◽  
Vol 71 (6) ◽  
pp. 618-620 ◽  
Author(s):  
Sevaiyan Malathy ◽  
Jeyaraman Selvaraj Nirmalram ◽  
Packianathan Thomas Muthiah
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Three Dimensional ◽  
Extended Structure ◽  
Molecular Salt

The title molecular salt, C10H12N3O3S+·C7H3N2O7−, protonation occurs at the amino N atom attached to the benzene ring of sulfamethoxazole. In the anion, there is an intramolecular O—H...O hydrogen bond and the cation is linked to the anion by an N—H...O hydrogen bond. In the extended structure, the cations and anions are linkedviaN—H...O, N—H...N and C—H...O hydrogen bonds, forming a three-dimensional framework.

scholarly journals Crystal structure of 2,5-dimethylanilinium salicylate

2015 ◽  
Vol 71 (9) ◽  
pp. o643-o644 ◽  
Author(s):  
A. Mani ◽  
P. Praveen Kumar ◽  
G. Chakkaravarthi
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Salicylic Acid ◽  
Hydrogen Bonds ◽  
Transfer Reaction ◽  
Three Dimensional ◽  
Proton Transfer Reaction ◽  
Dimensional Network ◽  
Centroid Distance ◽  
Molecular Salt

The title molecular salt, C8H12N+·C7H5O3−arose from the proton-transfer reaction between 2,5-xylidine and salicylic acid. In the anion, the dihedral angle between the planes of the aromatic ring and the –CO2−group is 11.08 (8)°; this near planarity is consolidated by an intramolecular O—H...O hydrogen bond. In the crystal, the components are connected by N—H...O hydrogen bonds, with all three O atoms in the anion acting as acceptors; the result is a [100] chain. The structure also features weak C—H...O bonds and aromatic π–π stacking [centroid-to-centroid distance = 3.7416 (10) Å] interactions, which lead to a three-dimensional network.

scholarly journals Crystal structure of (3-carboxypropyl)triphenylphosphonium hexafluoridophosphate

2014 ◽  
Vol 70 (11) ◽  
pp. o1197-o1198
Author(s):  
Patrick C. Hillesheim ◽  
Kent A. Scipione ◽  
Sean L. Stokes
Keyword(s):  
Crystal Structure ◽  
Carboxylic Acid ◽  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Side Chain ◽  
Stacking Interactions ◽  
Torsion Angles ◽  
Π Stacking ◽  
Dimensional Network ◽  
Molecular Salt

In the title molecular salt, C22H22O2P+·PF6−, the side chain of the cation adopts ananti–gaucheconformation [P—C—C—C and C—C—C—C torsion angles = −179.11 (10) and −77.18 (16)°, respectively]. In the crystal, the cations are linked into carboxylic acid inversion dimers by pairs of O—H...O hydrogen bonds. Weak C—H...F and C—H...(F,F) hydrogen bonds connect the components into a three-dimensional network, but there are no aromatic π–π stacking interactions.

scholarly journals Crystal structure of 2-(1H-imidazol-4-yl)ethanaminium chloride

2015 ◽  
Vol 71 (5) ◽  
pp. o301-o302 ◽  
Author(s):  
Imene Belfilali ◽  
Siham Yebdri ◽  
Samira Louhibi ◽  
Leila Boukli-hacene ◽  
Thierry Roisnel
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Torsion Angle ◽  
Three Dimensional ◽  
Amino Group ◽  
Two Dimensional ◽  
Dimensional Network ◽  
Terminal Amino ◽  
Molecular Salt

The title molecular salt, C5H10N3+·Cl−, was obtained as by-product in the attempted synthesis of a histamine derivative. The terminal amino group of the starting material is protonated. The Cimidazole—C—C—N(H3)+group in the cation is in ananticonformation with a torsion angle of 176.22 (10)°. In the crystal, cations and anions are linkedviaN—H...N and N—H—Cl hydrogen bonds, forming a two-dimensional network parallel to (10-1). A single weak C—H...Cl hydrogen bond completes a three-dimensional network.

scholarly journals Crystal structure of 4-(dimethylamino)pyridinium 4-aminobenzoate dihydrate

2015 ◽  
Vol 71 (1) ◽  
pp. o26-o27
Author(s):  
A. Thirunavukkarasu ◽  
A. Silambarasan ◽  
R. Mohan Kumar ◽  
P. R. Umarani ◽  
G. Chakkaravarthi
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Three Dimensional ◽  
Water Molecules ◽  
Π Interactions ◽  
Dimensional Network ◽  
Molecular Salt

In the title hydrated molecular salt, C7H11N2+·C7H6NO2−·2H2O, the cation is protonated at the pyridine N atom and the dihedral angle between the benzene ring and the CO2−group in the anion is 8.5 (2)°. In the crystal, the cation forms an N—H...O hydrogen bond to the anion and the anion forms two N—H...O hydrogen bonds to adjacent water molecules. Both water molecules form two O—H...O hydrogen bonds to carboxylate O atoms. In combination, these hydrogen bonds generate a three-dimensional network and two weak C—H...π interactions are also observed.

scholarly journals 2-Methyl-3-(3-methylisoxazol-5-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-1-ium chloride

IUCrData ◽  
2016 ◽  
Vol 1 (12) ◽  
Author(s):  
Sanae Lahmidi ◽  
Latifa El Ouasif ◽  
Alae Eddine Jilalat ◽  
Wedad Al-Garadi ◽  
El Mokhtar Essassi ◽  
...  
Keyword(s):  
Hydrogen Bond ◽  
Three Dimensional ◽  
Extended Structure ◽  
Dimensional Network ◽  
A Charge ◽  
Molecular Salt

In the title molecular salt, C13H12N3O2+·Cl−, the oxazolyl ring is disordered over two orientations in a 0.536 (15):0.464 (15) ratio, both of which approximate to envelopes with the N atom as the flap in each case. The cation and anion are linked by a charge-assisted N—H...Cl hydrogen bond. In the extended structure, C—H...N, C—H...O and C—H...Cl interactions link the components into a three-dimensional network.

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.

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