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2-Amino-4-methyl-pyridinium trifluoro-acetate: a monoclinic polymorph.

ABSTRACT: The title salt, C(6)H(9)N(2) (+)·C(2)F(3)O(2) (-), is a monoclinic polymorph of a previously reported structure [Hemamalini & Fun (2010). Acta Cryst. E66, o781-o782]. In the crystal structure, the cations and anions are linked by two different types of N-H⋯O hydrogen bonds, forming cation-anion pairs. These pairs are hydrogen bonded to neighbouring pairs via another N-H⋯O hydrogen bonds involving an H atom of the NH(2) group and one of the O atoms of the COO(-) group into a chain extended along the b axis.

SUBMITTER: Pourayoubi M

PROVIDER: S-EPMC2983996 | biostudies-literature |

REPOSITORIES: biostudies-literature

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2-Amino-4-methyl-pyridinium trifluoro-acetate.

Project description:The asymmetric unit of the title compound, C(6)H(9)N(2) (+)·C(2)F(3)O(2) (-), contains two independent 2-amino-4-methyl-pyridinium cations and two independent trifluoro-acetate anions. The F atoms of both anions are disordered over two sets of sites, with site occupancies of 0.50?(3) and 0.50?(3) in one of the anions, and 0.756?(9) and 0.244?(9) in the other. In the crystal, the cations and anions are linked into chains along the b axis by N-H?O hydrogen bonds and these chains are cross-linked by C-H?O hydrogen bonds, forming a two-dimensional network lying parallel to (101). The crystal structure is further stabilized by ?-? inter-actions between the pyridinium rings [centroid-centroid distances = 3.5842?(13) and 3.5665?(16)?Å].

| S-EPMC2984062 | biostudies-literature

2-Amino-5-methyl-pyridinium trifluoro-acetate.

Project description:In the title salt, C6H9N2(+)·C2F3O2(-), the F atoms of the anion are disordered over two sets of sites, with refined occupancies in a ratio of 0.505 (17):0.495 (17). In the crystal, cations and anions are linked via N-H⋯O hydrogen bonds, forming R2(2)(8) ring motifs. The ionic units are linked into a two-dimensional network parallel to (100) by N-H⋯O and weak C-H⋯O hydrogen bonds. The crystal structure is further stabilized by weak C-H⋯F hydrogen bonds, resulting in a three-dimensional network.

| S-EPMC3588927 | biostudies-literature

2-Amino-pyridinium trifluoro-acetate.

Project description:The asymmetric unit of the title compound, C(5)H(7)N(2) (+)·C(2)F(3)O(2) (-), contains four independent 2-amino-pyridinium cations and four independent trifluoro-acetate anions. In the crystal structure, these ions are linked by N-H?O hydrogen bonds, forming four cation-anion pairs each containing an R(2) (2)(8) ring motif. The ion pairs are linked into two independent chains along [100] by N-H?O hydrogen bonds. In addition, C-H?O and C-H?F hydrogen bonds and ??? inter-actions [centoid-centroid separation = 3.6007?(17)?Å] are observed.

| S-EPMC2983566 | biostudies-literature

2-Amino-5-bromo-pyridinium trifluoro-acetate.

Project description:In the title compound, C(5)H(6)BrN(2) (+)·C(2)F(3)O(2) (-), the F atoms of the anion are disordered over two sets of sites, with occupancies of 0.59 (2):0.41 (2). In the crystal structure, the anions and cations are linked into a two-dimensional network parallel to (100) by N-H⋯O and C-H⋯O hydrogen bonds. Within this network, the N-H⋯O hydrogen bonds generate R(2) (2)(8) ring motifs.

| S-EPMC2983956 | biostudies-literature

2-Amino-5-chloro-pyridinium trifluoro-acetate.

Project description:The asymmetric unit of the title salt, C(5)H(6)ClN(2) (+)·C(2)F(3)O(2) (-), contains two independent 2-amino-5-chloro-pyridinium cations and two independent trifluoro-acetate anions. The F atoms of both anions are disordered over two sets of positions, with occupancy ratios of 0.672 (12):0.328 (12) and 0.587 (15):0.413 (15). In the crystal, the cations and anions are linked via N-H⋯O and C-H⋯O hydrogen bonds, forming a two-dimensional network parallel to (001).

| S-EPMC2983973 | biostudies-literature

Methyl 2-(1,1,3-trioxo-2,3-dihydro-1,2-benzothia-zol-2-yl)acetate: a monoclinic polymorph.

Project description:In the title compound, C(10)H(9)NO(5)S, the fused ring system and the planar (r.m.s. deviation = 0.0037?Å) methoxy-carbonyl-methyl side chain form a dihedral angle of 84.67?(10)°. The crystal structure is stabilized by inter-molecular C-H?O hydrogen bonds. A triclinic polymorph of the title compound is already known [Siddiqui et al. (2008 ?). Acta Cryst. E64, o859].

| S-EPMC2979295 | biostudies-literature

2-Amino-5-methyl-pyridinium 2-carb-oxy-acetate.

Project description:In the title mol-ecular salt, C(6)H(9)N(2) (+)·C(3)H(3)O(4) (-), the cation is essentially planar, with a maximum deviation of 0.010?(3)?Å. In the anion, an intra-molecular O-H?O hydrogen bond generates an S(6) ring and results in a folded conformation. In the crystal, the protonated NH group 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, forming an R(2) (2)(8) ring motif. Weak inter-molecular C-H?O inter-actions help to further stabilize the crystal structure.

| S-EPMC2979470 | biostudies-literature

2-Amino-6-methyl-pyridinium 2,2,2-tri-chloro-acetate.

Project description:In the asymmetric unit of the title mol-ecular salt, C6H9N2 (+)·C2Cl3O2 (-), there are two independent 2-amino-6-methyl-pyridinium cations and two independent tri-chloro-acetate anions. The pyridine N atom of the 2-amino-6-methyl-pyridine mol-ecule is protonated and the geometries of these cations reveal amine-imine tautomerism. Both protonated 2-amino-6-methyl-pyridinium 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 carboxyl-ate O atoms of the anion via a pair of N-H⋯O hydrogen bonds, forming an R 2 (2)(8) ring motif. These motifs are connected via N-H⋯O and C-H⋯O hydrogen bonds to form slabs parallel to (101).

| S-EPMC3998557 | biostudies-literature

2-{[3-Methyl-4-(2,2,2-trifluoro-eth-oxy)pyridin-2-yl]methyl-sulfan-yl}-1H-benzimidazole monohydrate: a monoclinic polymorph.

Project description:The title compound, C(16)H(14)F(3)N(3)OS·H(2)O, which had been previously characterized in the space group P-1 [Ren et al. (2011 ?). Acta Cryst. E67, o270], has now been crystallized from 1-propanol in the monoclinic form in the space group P2(1)/c. While the triclinic form is a Z' = 2 crystal, the new monoclinic polymorph includes one main mol-ecule and one water lattice mol-ecule in the asymmetric unit. In the crystal, the water mol-ecule is sandwiched between neighboring main mol-ecules and behaves as both donor and acceptor in O-H?N and N-H?O hydrogen bonds with the imidazole N atoms. This pattern of chains parallel to [100] further inter-acts via O-H?N(pyridine) contacts.

| S-EPMC3393285 | biostudies-literature

4-(4-Nitro-benzene-sulfonamido)pyridinium trifluoro-acetate.

Project description:In the title compound, C(11)H(10)N(3)O(4)S(+)·C(2)F(3)O(2) (-), the benzene ring makes an angle of 87.3?(2)° with the pyridinium ring. The nitro group is essentially coplanar with the benzene ring. The F atoms of the CF(3) group are disordered over two positions with almost equal occupancy [0.531?(12)/0.469?(12)]. The crystal structure is stabilized by N-H?O and C-H?O hydrogen bonds.

| S-EPMC2962139 | biostudies-literature

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