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2-(Hydroxy-meth-yl)pyridinium chloride.

ABSTRACT: In the title molecular salt, C(6)H(8)NO(+)·Cl(-), the packing is consolidated by N-H?Cl and O-H?Cl hydrogen bonds, resulting in the formation of [010] chains of alternating cations and anions.

SUBMITTER: Ottley LA

PROVIDER: S-EPMC2959576 | biostudies-literature | 2008 Oct

REPOSITORIES: biostudies-literature

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2-(Hydroxy-meth-yl)pyridinium chloride.

Ottley Leigh Anna M LA Rodriguez Mark A MA Boyle Timothy J TJ

Acta crystallographica. Section E, Structure reports online 20081031 Pt 11

In the title molecular salt, C(6)H(8)NO(+)·Cl(-), the packing is consolidated by N-H⋯Cl and O-H⋯Cl hydrogen bonds, resulting in the formation of [010] chains of alternating cations and anions. ...[more]

PMID: 21581087

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2-(Dihydroxy-meth-yl)pyridinium chloride.

Project description:In the title compound, C(6)H(8)NO(2) (+)·Cl(-), inter-molecular O-H?Cl and N-H?Cl hydrogen bonds are observed in which each chloride anion links three adjacent cations into a hydrogen-bond network.

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2-(Benzoyl-amino-meth-yl)pyridinium chloride.

Project description:The title compound, C(13)H(13)N(2)O(+)·Cl(-), (1), was obtained as a colorless crystalline by-product during the synthesis of N-(2-pyridylmeth-yl)benzoyl-amine (2). The C-O bond length of 1.231 (2) Å in the benzoyl unit of (1) is slightly elongated in comparison with isolated C=O double bonds as also observed for (2) [1.237 (2) Å]. The N-C bond length of 1.345 (2) Å in the benzoic acid amide unit indicates the formation of an allylic O-C-N system and is very similar to the N-C bond lengths [1.345 (2) Å] of the pyridyl group. A further delocalization of charge from this allylic system into the phenyl fragment does not occur, which can be deduced from a characterisitc C-C single bond length of 1.499 (2) Å between these fragments. A dimer is formed via N-H⋯Cl hydrogen bonds. The two rings make a dihedral angle of 105.0 (2)°

| S-EPMC2959924 | biostudies-literature

Bis[(E)-4-(hydroxy-imino-meth-yl)pyridinium] oxalate.

Project description:The formula unit of the title compound, 2C(6)H(7)N(2)O(+)·C(2)O(4) (2-), comprises two symmetry-equivalent 4-(hydroxy-imino-meth-yl)-pyridinium cations on general positions, linked through hydrogen bonding via an oxalate anion that resides on a crystallographic centre of symmetry. The crystal structure consists of infinite chains of cations and oxalate anions directed by O-H⋯O and multicentre N-H⋯O inter-molecular hydrogen-bonding inter-actions.

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Ethyl [(2-hydroxy-phen-yl)(pyridinium-2-ylamino)meth-yl]phospho-nate methanol solvate.

Project description:In the title compound, C(14)H(17)N(2)O(4)P·CH(3)OH, the planes of the pyridinium-2-ylamino and 2-hydroxy-phenyl groups form a dihedral angle of 75.6?(1)°, with the pyridinium NH group and the 2-hydroxy-phenyl OH group pointing in opposite directions. Three intra-molecular hydrogen bonds are observed. Two phospho-nate and two methanol mol-ecules are connected by O-H?O hydrogen bonds as a centrosymmetric dimeric cluster, and inter-act further with other dimeric clusters via N-H?O, O-H?O and C-H?O hydrogen bonds and C-H?? inter-actions, resulting in a sheet structure.

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(3S,4R)-4-(4-Fluoro-phen-yl)-3-(hydroxy-meth-yl)piperidinium chloride.

Project description:The title compound, C(12)H(17)FNO(+)·Cl(-), is a degradation impurity of paroxetine hydro-chloride hemihydrate (PAXIL), an anti-depressant belonging to the group of drugs called selective serotonin reuptake inhibitors (SSRIs). Similar to the paroxetine hydro-chloride salt with protonation having taken place on the basic piperidine ring, the degradation impurity also exists as the hydro-chloride salt. The cyclic six-membered piperidinium ring adopts a chair conformation with the hydroxy-methyl and 4-fluoro-phenyl groups in the equatorial positions. The ions form a tape along the b axis through charge-assisted N(+)-H⋯Cl(-) hydrogen bonds; these tapes are connected by O-H⋯Cl(-) hydrogen bonds along the a axis.

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Project description:The title compound, C18H23N2O2 (+)·Cl(-), crystallizes with two independent cations and anions per cell. Each cation has twofold rotational disorder about the linking vinyl groups but with unequal occupancies [0.963?(5):0.037?(5) and 0.860?(8):0.140?(8)]. The two independent cations are close to being related by an inversion centre but the data does not support the expected centrosymmetric space-group assignment. The conclusion is that the differing rotational disorder has lead to an overall non-centrosymmetric lattice. In the crystal, the mol-ecules pack in layers parallel to (133) and (-13-3), chain-linked with motif C (1) 2(7) by the di-hydroxy-propyl O-H?Cl?H-O hydrogen bonds. Other lattice binding is provided by O-H?Cl, C-H?Cl and C-H?N inter-actions.

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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.

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4-[(Adamantan-1-yl)carbamo-yl]pyridinium chloride.

Project description:In the title salt, C(16)H(21)N(2)O(+)·Cl(-), the amide group makes a dihedral angle of 24.98?(2)° with respect to the pyridinium ring. In the crystal, both the amide and pyridinium N atoms are involved in N-H?Cl hydrogen bonding. Weak inter-molecular C-H?Cl and C-H?O inter-actions also occur.

| S-EPMC3379453 | biostudies-literature

?-Acetato-bis-(?-2-{[(3-chloro-2-hydroxy-prop-yl)(2-pyridylmeth-yl)amino]meth-yl}phenolato)dinickel(II) chloride.

Project description:The title salt, [Ni(2)(C(16)H(18)ClN(2)O(2))(2)(CH(3)COO)]Cl, features a dinuclear cation in which the Ni atoms are triply bridged by two phenolate O ligands and a bidentate acetate ligand with all of the bridging distances essentially symmetric. Each Ni atom is also coordinated by the amine N, pyridine N and hydr-oxy O atoms of the 2-{[(3-chloro-2-hydroxy-prop-yl)(2-pyridylmeth-yl)amino]meth-yl}phenolate ligand which is, therefore, penta-dentate. The resultant N(3)O(3) donor sets define octa-hedral coordination geometries. The chloride counter-anion is connected to the cation via two O(hydr-oxy)-H?Cl hydrogen bonds.

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3-(Ammonio-meth-yl)pyridinium dibromide.

Project description:In the title salt, C(6)H(10)N(2) (2+)·2Br(-), the non-H atoms of the 3-methyl-pyridinium unit of the cation are almost coplanar (r.m.s. deviation = 0.0052?Å). In the crystal, the dications and Br anions are linked by a combination of six hydrogen bonds, viz. one N(py)-H?Br, two C-H?Br and three H(2)N-H?Br, into supra-molecular layers, parallel to the bc plane, composed of alternating R(2) (4)(10) and R(2) (4)(8) loops. Weak ?-? inter-actions between cationic rings with centroid-centroid distances of 3.891?(2)?Å are also observed.

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