scholarly journals The methanol sesquisolvate of sodium naproxen

2018 ◽  
Vol 74 (11) ◽  
pp. 1624-1627
Author(s):  
Helene Kriegner ◽  
Matthias Weil ◽  
Matthew J. Jones
Keyword(s):  
Hydrogen Bonds ◽  
Coordination Number ◽  
Sodium Cation ◽  
Asymmetric Unit ◽  
Coordination Polyhedra ◽  
Oh Groups ◽  
Sodium Cations ◽  
Polymeric Chains ◽  
Sodium Naproxen ◽  
Molecular Salt

The asymmetric unit of the methanol solvate of sodium naproxen, systematic name: sodium (2S)-2-(6-methoxynaphthalen-2-yl)propanoate methanol sesquisolvate, Na+·C14H13O3 −·1.5CH3OH, comprises two formula units of the molecular salt and three methanol molecules. One of the sodium cations exhibits a coordination number of six and is bonded to three carboxylate O atoms and three methanol OH groups whereas the second sodium cation has a coordination number of seven, defined by five carboxylate O atoms and two methanol OH groups. Both coordination polyhedra around the sodium cations are considerably distorted. The two types of cations are bridged into polymeric chains extending parallel to [010]. This arrangement is stabilized by intrachain O—H...O hydrogen bonds between methanol ligands as donor and carboxylate O atoms as acceptor groups. The hydrophobic 6-methoxynaphthyl moieties flank the hydrophilic sodium oxygen chains into ribbons parallel to [010]. There are no noticeable intermolecular interactions between these ribbons. One of the 6-methoxynaphthyl moieties is disordered over two sets of sites in a 0.723 (3):0.277 (3) ratio.

scholarly journals Bis(2-methylpiperidinium) naphthalene-1,5-disulfonate

2012 ◽  
Vol 68 (6) ◽  
pp. o1733-o1733
Author(s):  
Qian Xu
Keyword(s):  
Hydrogen Bonds ◽  
Two Dimensional ◽  
Asymmetric Unit ◽  
Dimensional Network ◽  
Molecular Salt

In the structure of the title molecular salt, 2C6H14N+·C10H6O6S2 2−, the asymmetric unit consists of one 2-methylpiperidinium cation and one-half of a naphthalene-1,5-disulfonate anion; the anion lies across a centre of symmetry. In the crystal, the cations and anions are linked through N—H...O hydrogen bonds, forming a two-dimensional network.

scholarly journals Crystal structure and Hirshfeld surface analysis of 2,4-diamino-6-phenyl-1,3,5-triazin-1-ium 4-methylbenzenesulfonate

2018 ◽  
Vol 74 (8) ◽  
pp. 1159-1162
Author(s):  
Ramalingam Sangeetha ◽  
Kasthuri Balasubramani ◽  
Kaliyaperumal Thanigaimani ◽  
Savaridasson Jose Kavitha
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Intermolecular Interactions ◽  
Hirshfeld Surface ◽  
Amino Group ◽  
Asymmetric Unit ◽  
Graph Set ◽  
Molecular Salt ◽  
Sulfonate Anion ◽  
Hydrogen Bonded

In the title molecular salt, C9H10N5 +·C7H7O3S−, the asymmetric unit consists of a 2,4-diamino-6-phenyl-1,3,5-triazin-1-ium cation and a 4-methylbenzenesulfonate anion. The cation is protonated at the N atom lying between the amine and phenyl substituents. The protonated N and amino-group N atoms are involved in hydrogen bonding with the sulfonate O atoms through a pair of intermolecular N—H...O hydrogen bonds, giving rise to a hydrogen-bonded cyclic motif with R 2 2(8) graph-set notation. The inversion-related molecules are further linked by four N—H...O intermolecular interactions to produce a complementary DDAA (D = donor, A = acceptor) hydrogen-bonded array, forming R 2 2(8), R 4 2(8) and R 2 2(8) ring motifs. The centrosymmetrically paired cations form R 2 2(8) ring motifs through base-pairing via N—H...N hydrogen bonds. In addition, another R 3 3(10) motif is formed between centrosymetrically paired cations and a sulfonate anion via N—H...O hydrogen bonds. The crystal structure also features weak S=O...π and π–π interactions. Hirshfeld surface and fingerprint plots were employed in order to further study the intermolecular interactions.

scholarly journals 2-Amino-6-methylpyridinium 2,2,2-trichloroacetate

2014 ◽  
Vol 70 (4) ◽  
pp. o391-o392 ◽  
Author(s):  
K. Syed Suresh Babu ◽  
G. Peramaiyan ◽  
M. NizamMohideen ◽  
R. Mohan
Keyword(s):  
Hydrogen Bonds ◽  
Amino Group ◽  
Asymmetric Unit ◽  
Molecular Salt ◽  
Ring Motif ◽  
Hydrogen Bonded

In the asymmetric unit of the title molecular salt, C6H9N2+·C2Cl3O2−, there are two independent 2-amino-6-methylpyridinium cations and two independent trichloroacetate anions. The pyridine N atom of the 2-amino-6-methylpyridine molecule is protonated and the geometries of these cations reveal amine–imine tautomerism. Both protonated 2-amino-6-methylpyridinium cations are essentially planar [maximum deviations = 0.026 (2) and 0.012 (2) Å]. In the crystal, the protonated N atom and the 2-amino group of the cation are hydrogen bonded to the carboxylate O atoms of the anionviaa pair of N—H...O hydrogen bonds, forming anR22(8) ring motif. These motifs are connectedviaN—H...O and C—H...O hydrogen bonds to form slabs parallel to (101).

scholarly journals Hydrogen bonding in the crystal structure of the molecular salt of pyrazole–pyrazolium picrate

2016 ◽  
Vol 72 (6) ◽  
pp. 861-863 ◽  
Author(s):  
Ping Su ◽  
Xue-gang Song ◽  
Ren-qiang Sun ◽  
Xing-man Xu
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonding ◽  
Hydrogen Bonds ◽  
Organic Salt ◽  
Asymmetric Unit ◽  
Molecular Salt ◽  
Hydrogen Bonded

The asymmetric unit of the title organic salt [systematic name: 1H-pyrazol-2-ium 2,4,6-trinitrophenolate–1H-pyrazole (1/1)], H(C3H4N2)2+·C6H2N3O7−, consists of one picrate anion and one hydrogen-bonded dimer of a pyrazolium monocation. The H atom involved in the dimer N—H...N hydrogen bond is disordered over both symmetry-unique pyrazole molecules with occupancies of 0.52 (5) and 0.48 (5). In the crystal, the component ions are linked into chains along [100] by two different bifurcated N—H...(O,O) hydrogen bonds. In addition, weak C—H...O hydrogen bonds link inversion-related chains, forming columns along [100].

scholarly journals Diethylammonium dihydrogen orthophosphate

2014 ◽  
Vol 70 (2) ◽  
pp. o129-o129 ◽  
Author(s):  
Peter Held
Keyword(s):  
Hydrogen Bonds ◽  
Asymmetric Unit ◽  
Weak Hydrogen Bonds ◽  
Molecular Salt ◽  
Dihydrogen Orthophosphate

In the title molecular salt, [NH2(CH2CH3)2][H2PO4], two unique types of cations and anions, which are configurationally very similar, are present in the asymmetric unit. Both ions form sheets approximately parallel to (-1-1) linked by weak hydrogen bonds. The interconnection within and between the sheets is reinforced by O—H...O and N—H...O hydrogen bonds involving the tetrahedral H2PO4anions and the ammonium groups.

scholarly journals 4-Methylanilinium 3-carboxy-2-hydroxypropanoate

IUCrData ◽  
2016 ◽  
Vol 1 (9) ◽  
Author(s):  
S. Kalaiyarasi ◽  
S. Reena Devi ◽  
R. Akilan ◽  
R. Mohan Kumar ◽  
G. Chakkaravarthi
Keyword(s):  
Hydrogen Bond ◽  
Carboxylic Acid ◽  
Hydrogen Bonds ◽  
Two Dimensional ◽  
Asymmetric Unit ◽  
Carboxylic Acid Groups ◽  
Dimensional Network ◽  
Anions And Cations ◽  
Graph Set ◽  
Molecular Salt

The title molecular salt, C7H10N+·C4H5O5−, contains a 4-methylanilinium cation and a 3-carboxy-2-hydroxypropanoate (hydrogen 2-hydroxysuccinate) anion in the asymmetric unit. The cation is protonated at the amine N atom and the anion is deprotonated at one of the hydroxy O atoms of the carboxylic acid groups. An O—H...O hydrogen bond in the anion generates anS(5) graph-set motif. An N—H...O hydrogen bond links the anion and cation in the asymmetric unit. In the crystal, N—H...O and O—H...O hydrogen bonds link adjacent anions and cations, forming a two-dimensional network parallel to theacplane and enclosingR23(12),R23(14) andR32(10) ring motifs.

scholarly journals Benzene-1,2-diaminium bis(hydrogen phosphonate)

IUCrData ◽  
2016 ◽  
Vol 1 (10) ◽  
Author(s):  
Md. Zahid ◽  
R. Akilan ◽  
T. Ganesh ◽  
R. Mohan Kumar ◽  
G. Chakkaravarthi
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Mirror Plane ◽  
Asymmetric Unit ◽  
Π Interactions ◽  
Centroid Distance ◽  
Molecular Salt ◽  
Ring Motif

The asymmetric unit of the title molecular salt, C6H10N2 2+·2H2PO3 −, contains half of a benzene-1,2-diaminium cation and a phosphite anion, the complete cation being generated by a crystallographic mirror plane. In the crystal, N—H...O hydrogen bonds generate R 2 2(9) and R 2 2(8) ring motifs and O—H...O hydrogen bonds generate an R 2 2(8) ring motif. Overall, these generate a three-dimensional framework. The crystal structure also features π–π interactions [centroid-to-centroid distance = 3.8642 (7) Å].

scholarly journals Crystal structure of dimethylammonium hydrogen oxalate hemi(oxalic acid)

2015 ◽  
Vol 71 (5) ◽  
pp. 473-475 ◽  
Author(s):  
Waly Diallo ◽  
Ndongo Gueye ◽  
Aurélien Crochet ◽  
Laurent Plasseraud ◽  
Hélène Cattey
Keyword(s):  
Hydrogen Bonds ◽  
Oxalic Acid ◽  
Molecular Assembly ◽  
Point Of View ◽  
Hydroxyl Groups ◽  
Inversion Center ◽  
Asymmetric Unit ◽  
Close Proximity ◽  
Polymeric Chains

Single crystals of the title salt, Me2NH2+·HC2O4−·0.5H2C2O4, were isolated as a side product from the reaction involving Me2NH, H2C2O4and Sn(n-Bu)3Cl in a 1:2 ratio in methanol or by the reaction of the (Me2NH2)2C2O4salt and Sn(CH3)3Cl in a 2:1 ratio in ethanol. The asymmetric unit comprises a dimethylammonium cation (Me2NH2+), an hydrogenoxalate anion (HC2O4−), and half a molecule of oxalic acid (H2C2O4) situated about an inversion center. From a supramolecular point of view, the three components interact togetherviahydrogen bonding. The Me2NH2+cations and the HC2O4−anions are in close proximity through bifurcated N—H...(O,O) hydrogen bonds, while the HC2O4−anions are organized into infinite chainsviaO—H...O hydrogen bonds, propagating along thea-axis direction. In addition, the oxalic acid (H2C2O4) molecules play the role of connectors between these chains. Both the carbonyl and hydroxyl groups of each diacid are involved in four intermolecular interactions with two Me2NH2+and two HC2O4−ions of four distinct polymeric chains,viatwo N—H...O and two O—H...O hydrogen bonds, respectively. The resulting molecular assembly can be viewed as a two-dimensional bilayer-like arrangement lying parallel to (010), and reinforced by a C—H...O hydrogen bond.

scholarly journals Disodium hydrogen citrate sesquihydrate, Na2HC6H5O7(H2O)1.5

2016 ◽  
Vol 72 (7) ◽  
pp. 943-946 ◽  
Author(s):  
Alagappa Rammohan ◽  
Amy A. Sarjeant ◽  
James A. Kaduk
Keyword(s):  
Crystal Structure ◽  
Density Functional ◽  
Water Molecules ◽  
Asymmetric Unit ◽  
Single Crystal Diffraction ◽  
Coordination Polyhedra ◽  
X Ray ◽  
Carboxylic Acid Groups ◽  
Sodium Cations ◽  
Disodium Hydrogen Citrate

The crystal structure of disodium hydrogen citrate sesquihydrate, 2Na2+·C6H6O72−·1.5H2O, has been solved and refined using laboratory X-ray single-crystal diffraction data, and optimized using density functional techniques. The asymmetric unit contains two independent hydrogen citrate anions, four sodium cations and three water molecules. The coordination polyhedra of the cations (three with a coordination number of six, one with seven) share edges to form isolated 8-rings. The un-ionized terminal carboxylic acid groups form very strong hydrogen bonds to non-coordinating O atoms, with O...O distances of 2.46 Å.

scholarly journals Crystal structure of trimethylammonium 5-(2,4-dinitrophenyl)-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-olate

2014 ◽  
Vol 70 (10) ◽  
pp. o1102-o1103 ◽  
Author(s):  
Sridevi Gunaseelan ◽  
Kalaivani Doraisamyraja
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Maximum Deviation ◽  
Asymmetric Unit ◽  
Molecular Salt

The asymmetric unit of the title molecular salt, C3H10N+·C12H9N4O7−[alternative name: trimethylammonium 5-(2,4-dinitrophenyl)-1,3-dimethyl barbiturate], contains one anion and two half-occupancy cations. The cations are disordered about inversion centres. The tetrahydropyrimidine ring is essentially planar [maximum deviation = 0.007 (2) Å] and forms a dihedral angle of 41.12 (6)° with the plane of the benzene ring. In the crystal, N—H...O hydrogen bonds link the cations to the anions.

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