scholarly journals Crystal structure of 2-(1H-imidazol-3-ium-4-yl)ethanaminium dichloride, a re-determination

2015 ◽  
Vol 71 (11) ◽  
pp. o844-o845 ◽  
Author(s):  
Samira Louhibi ◽  
Imene Belfilali ◽  
Leila Boukli-Hacene ◽  
Thierry Roisnel
Keyword(s):  
Crystal Structure ◽  
Three Dimensional ◽  
Side Chain ◽  
Dimensional Network ◽  
Protonated Amine ◽  
Amine Function ◽  
Imidazolium Ring ◽  
Inorganic Layers ◽  
Absolute Structure ◽  
Molecular Salt

The crystal structure of the title molecular salt, C5H11N3+·2Cl−, was redetermined. In comparison with the previous study [Bonnetet al.(1975).Bull. Soc. Fr. Mineral. Crist.98, 208–213.], the positions of some H atoms were corrected, allowing a more accurate description of the hydrogen-bonding scheme. In addition, the absolute structure was also determined. The maximum differences in terms of bond lengths and angles between the two determinations are 0.022 Å and 1.43°, respectively. The organic cation display aanticonformation of the protonated amine function and the imidazolium ring. The dihedral angle between the imidazolium plane and the plane through the C—C—N side chain is 29.58 (3)°. In the crystal, the organic cations and Cl−anions are stacked alternatively into layers parallel to (100). N—H...Cl hydrogen bonds between all H atoms of the ammonium group and both N—H groups of the imidazolium ring and the Cl−acceptor anions lead to the linkage of organic and inorganic layers into a three-dimensional network.

scholarly journals Crystal structure of 2-phenylethylaminium 4-nitrophenolate monohydrate

2014 ◽  
Vol 70 (12) ◽  
pp. o1280-o1280
Author(s):  
N. Swarna Sowmya ◽  
S. Sampathkrishnan ◽  
S. Sudhahar ◽  
R. Mohan Kumar ◽  
G. Chakkaravarthi
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Nitro Group ◽  
Aromatic Ring ◽  
Three Dimensional ◽  
Side Chain ◽  
Stacking Interactions ◽  
Dimensional Network ◽  
Centroid Distance ◽  
Molecular Salt

In the title hydrated molecular salt, C8H12N+·C6H4NO3−·H2O, the conformation of the side chain in the cation isanti[C—C—C—N = 179.62 (12)°] and the dihedral angle between the aromatic ring and the nitro group in the anion is 3.34 (11)°. In the crystal, the components are linked by O—H...O and N—H...O hydrogen bonds, generating (10-1) sheets, which featureR44(21) loops. The sheets interact by weak aromatic π–π stacking interactions [centroid–centroid distance = 3.896 (3) Å], forming 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 quinolinium 2-carboxy-6-nitrobenzoate monohydrate

2015 ◽  
Vol 71 (5) ◽  
pp. o270-o271 ◽  
Author(s):  
J. Mohana ◽  
M. Divya Bharathi ◽  
G. Ahila ◽  
G. Chakkaravarthi ◽  
G. Anbalagan
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Carboxy Group ◽  
Three Dimensional ◽  
Dihedral Angles ◽  
Π Stacking ◽  
Dimensional Network ◽  
Molecular Salt

In the anion of the title hydrated molecular salt, C9H8N+·C8H4NO6−·H2O, the protonated carboxyl and nitro groups makes dihedral angles of 27.56 (5) and 6.86 (8)°, respectively, with the attached benzene ring, whereas the deprotonated carboxy group is almost orthogonal to it with a dihedral angle of 80.21 (1)°. In the crystal, the components are linked by O—H...O and N—H...O hydrogen bonds, generating [001] chains. The packing is consolidated by weak C—H...N and C—H...O interactions as well as aromatic π–π stacking [centroid-to-centroid distances: 3.7023 (8) & 3.6590 (9)Å] interactions, resulting in a three-dimensional network.

scholarly journals Crystal structure of ethyl (2S,2′R)-1′-benzyl-3-oxo-3H-dispiro[1-benzothiophene-2,3′-pyrrolidine-2′,11′′-indeno[1,2-b]quinoxaline]-4′-carboxylate

2015 ◽  
Vol 71 (3) ◽  
pp. o195-o196
Author(s):  
J. Govindaraj ◽  
R. Raja ◽  
M. Suresh ◽  
R. Raghunathan ◽  
A. SubbiahPandi
Keyword(s):  
Crystal Structure ◽  
Three Dimensional ◽  
Ring System ◽  
Side Chain ◽  
Dihedral Angles ◽  
Pyrrolidine Ring ◽  
Compound C ◽  
Dimensional Network ◽  
Centroid Distance ◽  
Quinoxaline Ring

In the title compound, C35H27N3O3S, the spiro-linked five-membered rings both adopt twisted conformations. The pyrrolidine ring makes dihedral angles of 80.5 (1) and 77.4 (9)° with the benzothiophene ring system and the quinoxaline ring system, respectively. The S atom and C=O unit of the benzothiophene ring system are disordered over two opposite orientations in a 0.768 (4):0.232 (4) ratio. The atoms of the ethyl side chain are disordered over two sets of sites in a 0.680 (16):0.320 (16) ratio. In the crystal, molecules are linked by C—H...O, C—H...N and π–π interactions [shortest centroid–centroid distance = 3.4145 (19) Å], resulting in a three-dimensional network.

scholarly journals Crystal structure of 1-benzyl-3-methyl-1H-imidazolium hexafluoridophosphate

2014 ◽  
Vol 70 (12) ◽  
pp. o1248-o1249 ◽  
Author(s):  
Patrick C. Hillesheim ◽  
Kent A. Scipione
Keyword(s):  
Crystal Structure ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Three Dimensional ◽  
Π Interactions ◽  
Dimensional Network ◽  
Benzene Rings ◽  
Imidazolium Ring ◽  
Adjacent Molecule

In the title salt, C11H13N2+·PF6−, the dihedral angle between the planes of the imidazole and benzene rings is 84.72 (4)°. In the crystal, C—H...F interactions connect the cation and anion pairs into a three-dimensional network. Weak π–π interactions are observed between the imidazolium ring and the aromatic benzene ring of an adjacent molecule with C...C and C...N distances ranging from 3.3714 (16) to 3.4389 (15) Å.

scholarly journals 2-Methylbenzene-1,3-diammonium dinitrate

2014 ◽  
Vol 70 (2) ◽  
pp. o204-o204 ◽  
Author(s):  
Dhouha Ben Hassen ◽  
Walid Rekik ◽  
Houcine Naïli ◽  
Tadeusz Lis ◽  
Roman Grobelny
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Aromatic Rings ◽  
Π Interactions ◽  
Nitrate Ions ◽  
Dimensional Network ◽  
Protonated Amine ◽  
Centroid Distance ◽  
Amine Groups

In the crystal structure of the title salt, C7H12N22+·2NO3−, the nitrate ions are located in the vicinity of the protonated amine groups, accepting strong N—H...O hydrogen bonds. Each ammonium group is involved in a total of three such interactions with neighbouring nitrate ions, generating a three-dimensional network. In addition, there are π–π interactions between the aromatic rings of centrosymmetrically related diammonium moieties, with a centroid–centroid distance of 3.682 (1) Å.

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-sulfamoylanilinium dihydrogen phosphate

2014 ◽  
Vol 70 (9) ◽  
pp. o997-o998
Author(s):  
C. Muthuselvi ◽  
N. Mala ◽  
N. Srinivasan ◽  
S. Pandiarajan ◽  
R. V. Krishnakumar
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Three Dimensional ◽  
Dihydrogen Phosphate ◽  
Oh Groups ◽  
Dimensional Network ◽  
Amine Hydrogen ◽  
Phosphate Anions ◽  
Molecular Salt

In the crystal structure of the title molecular salt, C6H9N2O2S+·H2PO4−, the sulfomylalinium cations and the dihydrogen phosphate anions form independent [100] chains through Ns—H...O (s = sulfamoyl) and O—H...O hydrogen bonds, respectively. The chains are cross-linked by Na—H...O (a = amine) hydrogen bonds, generating (010) sheets. Two C—H...O hydrogen bonds involving diametrically opposite C atoms in the benzene ring of the cation as donors form chains parallel to [202] in which P=O and P—OH groups are acceptors. Together, these interactions lead to a three-dimensional network.

scholarly journals 2-Amino-4-methylpyridinium 2-hydroxybenzoate

IUCrData ◽  
2016 ◽  
Vol 1 (9) ◽  
Author(s):  
P. Sivakumar ◽  
S. Israel ◽  
G. Chakkaravarthi
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Ion Pairs ◽  
Three Dimensional ◽  
Asymmetric Unit ◽  
Dimensional Network ◽  
Centroid Distance ◽  
Molecular Salt

The title molecular salt, C6H9N2+·C7H5O3−, contains two ion pairs in the asymmetric unit. Both anions feature an intramolecular O—H...O hydrogen bond, which closes anS(6) ring. In the crystal, N—H...O hydogen bonds link the components into [010] chains, which featureR22(8) loops. The crystal structure is consolidated by weak C—H...O and π–π [centroid-to-centroid distance = 3.7528 (16) Å] interactions, forming a three-dimensional network.

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