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4-Hy-droxy-1,2,6-tri-methyl-pyridinium chloride monohydrate.

ABSTRACT: In the crystal of the title hydrated mol-ecular salt, C8H12NO(+)·Cl(-)·H2O, the water mol-ecule makes two O-H⋯Cl hydrogen bonds, generating [010] zigzag chains of alternating water mol-ecules and chloride ions. The cation is bonded to the chain by an O-H⋯O hydrogen bond and two weak C-H⋯Cl inter-actions. Weak aromatic π-π stacking [centroid-centroid separation = 3.5175 (15) Å] occurs between the chains.

SUBMITTER: Seethalakshmi T

PROVIDER: S-EPMC3684923 | biostudies-literature |

REPOSITORIES: biostudies-literature

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4-Hy-droxy-1,2,6-tri-methyl-pyridinium bromide monohydrate.

Project description:The title salt, C8H12NO(+)·Br(-)·H2O, is isomorphous with the chloride analogue [Seethalakshmi et al. (2013). Acta Cryst. E69, o835-o836]. In the solid state, the cations, anions and water mol-ecules are inter-linked by a network of O-H?O, O-H?Br and C-H?Br inter-actions. The water mol-ecule makes two O-H?Br hydrogen bonds, generating [010] zigzag chains of alternating water mol-ecules and bromide anions. The cation is involved in two inter-molecular C-H?Cl inter-actions in the chloride salt, whereas three inter-molecular C-H?Br inter-actions are observed in the title bromide salt. This additional inter-molecular C-H?Br inter-action links the adjacent water and bromide zigzag chains via cationic mol-ecules. In addition, weak ?-? stacking inter-actions are observed between pyridinium rings [centroid-centroid distance = 3.5664?(13)?Å].

| S-EPMC3685086 | biostudies-other

2-Amino-4-methyl-pyridinium 3-carb-oxy-4-hy-droxy-benzene-sulfonate monohydrate.

Project description:In the crystal structure of the title salt, C(6)H(9)N(2) (+)·C(7)H(5)O(6)S(-)·H(2)O, the water mol-ecule acts as an acceptor of bifurcated N-H?O hydrogen bonds from the pyridinium H atom and one H atom of the 2-amino group, forming an R(2) (1)(6) ring. The 3-carb-oxy-4-hy-droxy-benzene-sulfonate anions self-assemble via O-H?O hydrogen bonds, leading to supra-molecular chains along the a axis. These chains and R(2) (1)(6) motifs are linked via O-H?O, N-H?O and C-H?O hydrogen bonds, forming a layer parallel to the ac plane. There is also an intra-molecular O-H?O hydrogen bond in the 3-carb-oxy-4-hy-droxy-benzene-sulfonate anion, generating an S(6) ring motif.

| S-EPMC3007430 | biostudies-literature

(R)-(3-Carb-oxy-2-hy-droxy-prop-yl)tri-methyl-aza-nium chloride.

Project description:In the title salt (common name l-carnitine hydro-chloride), C(7)H(16)NO(3) (+)·Cl(-), the organic cation features a carb-oxy-lic part (-CO(2)H) having unambigous single- and double-bonds [1.336?(2), 1.211?(2)?Å]. There is a large N-C-C bond angle [115.9?(1)°] for the C atom connected to the bulky trimethyl-amino substituent. In the crystal, the acid H atom forms a hydrogen bond to the chloride anion, whereas the hydroxyl H atom forms a longer hydrogen bond to the anion, generating a helical chain running along [001].

| S-EPMC3344540 | biostudies-literature

3-Hy-droxy-2-(hy-droxy-meth-yl)pyridinium chloride.

Project description:The cation of the title compound, C(6)H(8)NO(2) (+)·Cl(-), is essentially planar (r.m.s. deviation = 0.0104?Å). Intermolecular O-H?Cl and N-H?Cl hydrogen bonds, as well as C-H?O contacts, connect the mol-ecules in the crystal structure. A short C?C distance of only 3.3930?(19)?Å between C atoms of neighbouring rings is indicative of ?-stacking. The corresponding centroid-centroid distance between the two aromatic systems is 4.2370?(7)?Å due to the small overlap of the adjacent rings.

| S-EPMC3200843 | biostudies-other

2-Amino-pyrimidinium 4-hy-droxy-pyridinium-2,6-dicarboxyl-ate monohydrate.

Project description:In the crystal structure of the title compound, C(4)H(6)N(3) (+)·C(7)H(4)NO(5) (-)·H(2)O, inter-molecular N-H⋯N, N-H⋯O and O-H⋯O hydrogen bonds link the cations and anions into almost planar sheets parallel to (102). These hydrogen-bonded sheets are packed into the crystal with the formation of centrosymmetric voids of 68 Å(3), which are filled by the water mol-ecules, each of which is disordered over four positions.

| S-EPMC3008026 | biostudies-literature

2-Amino-4-methyl-pyridinium 3-hy-droxy-benzoate.

Project description:In the title salt, C6H9N2 (+)·C7H5O3 (-), the anion is essentially planar, with a dihedral angle of 2.72?(17)° between the benzene ring and the carboxyl-ate group. In the crystal, the anions are connected by O-H?O hydrogen bonds, forming a 41 helical chain along the c axis. The protonated N atom and the 2-amino group of the cation are hydrogen bonded to the carboxyl-ate O atoms of the anion via a pair of N-H?O hydrogen bonds with an R 2 (2)(8) ring motif. The ion pairs are further connected via another N-H?O hydrogen bond, resulting in a three-dimensional network.

| S-EPMC3770390 | biostudies-literature

2-Amino-4-methyl-pyridinium 2-hy-droxy-benzoate.

Project description:The asymmetric unit of the title mol-ecular salt, C(6)H(9)N(2) (+)·C(7)H(5)O(3) (-), contains two cations and two anions. Both the salicylate anions contain an intra-molecular O-H?O hydrogen bond, which generates an S(6) ring. Both the 2-amino-4-methyl-pyridine mol-ecules are protonated at their pyridine N atoms. In the crystal, both cations form two N-H?O hydrogen bonds to their adjacent anions, forming ion pairs. Further N-H?O links generate sheets lying parallel to the ab plane. In addition, weak C-H?O bonds and aromatic ?-? stacking inter-actions [centroid-centroid distances = 3.5691?(9) and 3.6215?(9)?Å] are observed between the cations and anions.

| S-EPMC3007449 | biostudies-literature

2-Amino-6-methyl-pyridinium 4-hy-droxy-benzoate.

Project description:In the title mol-ecular salt, C6H9N2 (+)·C7H5O3 (-), the dihedral angle between the benzene ring and the CO2 group in the anion is 6.1?(2)°. In the crystal, the cation and anion are linked by N-H?O and C-H?O hydrogen bonds, and the anions are connected by O-H?O hydrogen bonds, forming a three-dimensional network.

| S-EPMC3629648 | biostudies-literature

2-Amino-5-methyl-pyridinium 2-hy-droxy-benzoate.

Project description:In the title compound, C(6)H(9)N(2) (+)·C(7)H(5)O(3) (-), the protonated 2-amino-5-methyl-pyridinium cation and the 2-hy-droxy-benzoate anion are both essentially planar, with maximum deviations of 0.026 (2) and 0.034 (1) Å, respectively. The anion is stabilized by an intra-molecular O-H⋯O hydrogen bond, which forms an S(6) ring motif. In the solid state, the anions are linked to the cations via pairs of inter-molecular N-H⋯O hydrogen bonds forming R(2) (2)(8) ring motifs. The crystal structure is further stabilized by N-H⋯O and C-H⋯O inter-actions which link the mol-ecules into chains along [010]. A π-π stacking inter-action [centroid-centroid-distance = 3.740 (2) Å] is also observed.

| S-EPMC3008107 | biostudies-literature

2,3-Diamino-pyridinium 3-carb-oxy-4-hy-droxy-benzene-sulfonate monohydrate.

Project description:In the title hydrated mol-ecular salt, C(5)H(8)N(3) (+)·C(7)H(5)O(6)S(-)·H(2)O, the ion pairs and water mol-ecules are connected by N-H?O, O-H?O and C-H?O hydrogen bonds, thereby forming a three-dimensional network. There is an intra-molecular O-H?O hydrogen bond in the 3-carb-oxy-4-hy-droxy-benzene-sulfonate anion, which generates an S(6) ring motif.

| S-EPMC3247506 | biostudies-literature

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