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2-Methyl-propan-2-aminium 4-hy-droxy-benzoate.

ABSTRACT: In the crystal of the title mol-ecular salt, C(4)H(12)N(+)·C(7)H(5)O(3) (-), the cation is linked to three nearby anions by N-H⋯O hydrogen bonds. An O-H⋯O hydrogen bond between anions further consolidates the packing.

SUBMITTER: Yu SL

PROVIDER: S-EPMC3006923 | biostudies-literature |

REPOSITORIES: biostudies-literature

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N-[2-(2-Chloro-phen-yl)-2-hy-droxy-eth-yl]propan-2-aminium 4-methyl-benzoate.

Project description:The title compound, C(11)H(17)ClNO(+)·C(8)H(7)O(2) (-), was obtained by the reaction of chlorprenaline {or 1-(2-chloro-phen-yl)-2-[(1-methyl-eth-yl)amino]-ethanol} and p-toluic acid. The chlorpren-aline is twisted moderately with a C-C-C-C torsion angle of 109.6 (2)°. The two mol-ecules are linked by classical O-H⋯O and N-H⋯O hydrogen bonds. Further N-H⋯O hydrogen bonds link two of these units into dimers.

| S-EPMC2983265 | biostudies-literature

1,3-Dihy-droxy-2-(hy-droxy-meth-yl)propan-2-aminium formate.

Project description:The title compound, C(4)H(12)NO(3) (+)·CHO(2) (-), was obtained from 1,3-dihy-droxy-2-(hy-droxy-meth-yl)propan-2-aminium acetate and ethyl formate. In the crystal, the cations and anions are held together by inter-molecular N-H?O and O-H?O hydrogen bonds.

| S-EPMC3089189 | biostudies-literature

N-[2-(2-Chloro-phen-yl)-2-hy-droxy-eth-yl]propan-2-aminium benzoate.

Project description:In the title compound, C(11)H(17)ClNO(+)·C(7)H(5)O(2) (-), obtained by the reaction of chlorprenaline {or 1-(2-chlorophenyl)-2-[(1-methylethyl)amino]ethanol} and benzoic acid, the chlorprenaline is twisted moderately [C-C-C-C torsion angle = -76.00?(17)°] compared with related compounds. The mol-ecules as usual form dimers. In the crystal structure, the two components are connected by classical O-H?O and N-H?O hydrogen bonds.

| S-EPMC3009367 | biostudies-other

2-Methyl-propan-2-aminium 2-(meth-oxy-carbon-yl)benzoate.

Project description:In the title compound, C(4)H(12)N(+)·C(9)H(7)O(4) (-), two C atoms and the N atom of the cation lie on a mirror plane, while all the atoms of the anion are disordered about a mirror plane. In the crystal, N-H?O hydrogen bonds link the components into chains along [010]. In the anion, the mean planes of the methoxycarbonyl and carboxylate groups form dihedral angles of 83.0 (2) and 83.2 (2)°, respectively, with the aromatic ring.

| S-EPMC3201413 | biostudies-literature

Methyl 5-bromo-2-hy-droxy-benzoate.

Project description:The title compound, C(8)H(7)BrO(3), is almost planar (r.m.s. deviation for the non-H atoms = 0.055 Å). In the crystal, O-H⋯O hydrogen bonds link the mol-ecules into C(6) chains propagating in [010]. Very weak aromatic π-π inter-actions [centroid-centroid distances = 3.984 (5) and 3.982 (5) Å] also occur.

| S-EPMC3344579 | biostudies-literature

4-Methyl-pyridinium 4-hy-droxy-benzoate.

Project description:In the crystal structure of the title salt, C(6)H(8)N(+)·C(7)H(5)O(3) (-), the anions and cations are linked by classical N-H⋯O hydrogen bonds. The anions are connected by pairs of C-H⋯O hydrogen bonds into inversion dimers and further linked by classical O-H⋯O hydrogen bonds. Weak π-π inter-actions [centroid-centroid distances = 3.740 (3) and 3.855 (3) Å] also occur. The dihedral angle between the CO(2) (-) group and the benzene ring to which it is attached is 20.95 (8)°.

| S-EPMC3569806 | biostudies-literature

Crystal structures of the 1:1 salts of 2-amino-4-nitro-benzoate with each of (2-hy-droxy-eth-yl)di-methyl-aza-nium, tert-but-yl(2-hy-droxy-eth-yl)aza-nium and 1,3-dihy-droxy-2-(hy-droxy-meth-yl)propan-2-aminium.

Project description:The crystal and mol-ecular structures of the title mol-ecular salts, C4H12NO+·C7H5N2O4 -, (I), C6H16NO+·C7H5N2O4 -, (II), and C4H12NO3 +·C7H5N2O4 -, (III), are described. The common feature of these salts is the presence of the 2-amino-4-nitro-benzoate anion, which exhibit non-chemically significant variations in the conformational relationships between the carboxyl-ate and nitro groups, and between these and the benzene rings they are connected to. The number of ammonium-N-H H atoms in the cations increases from one to three in (I) to (III), respectively, and this variation significantly influences the supra-molecular aggregation patterns in the respective crystals. Thus, a linear supra-molecular chain along [100] sustained by charge-assisted tertiary-ammonium-N-H?O(carboxyl-ate), hy-droxy-O-H?O(carboxyl-ate) and amino-N-H?O(carboxyl-ate) hydrogen-bonds is apparent in the crystal of (I). Chains are connected into a three-dimensional architecture by methyl-C-H?O(hy-droxy) and ?-? inter-actions, the latter between benzene rings [inter-centroid separation = 3.5796?(10)?Å]. In the crystal of (II), a supra-molecular tube propagating along [901] arises as a result of charge-assisted secondary-ammonium-N-H?O(carboxyl-ate) and hy-droxy-O-H?O(carboxyl-ate) hydrogen-bonding. These are connected by methyl-ene- and methyl-C-H?O(nitro) and ?-? stacking between benzene rings [inter-centroid separation = 3.5226?(10)?Å]. Finally, double-layers parallel to (100) sustained by charge-assisted ammonium-N-H?O(carboxyl-ate), ammonium-N-H?O(hy-droxy) and hy-droxy-O-H?O(carboxyl-ate) hydrogen-bonds are apparent in the crystal of (III). These are connected in a three-dimensional architecture by amine-N-H?O(nitro) hydrogen-bonds.

| S-EPMC6281114 | biostudies-literature

Methyl 4-benz-yloxy-2-hy-droxy-benzoate.

Project description:In the title compound, C15H14O4, the dihedral angle between the benzene rings is 67.18 (8)°. The Ca-Cm-O-Ca (a = aromatic and m = methyl-ene) torsion angle is 172.6 (3)° and an intra-molecular O-H⋯O hydrogen bond generates an S(6) ring. In the crystal, mol-ecules are linked by C-H⋯O hydrogen bonds into zigzag chains propagating in [001] and C-H⋯π inter-actions also occur.

| S-EPMC3588978 | biostudies-literature

Dimethyl 5,5'-methyl-enebis(2-hy-droxy-benzoate).

Project description:In the title compound, C(17)H(16)O(6), the two methyl salicylate moieties are related by crystallographic twofold rotational symmetry with the two benzene rings close to being perpendicular [inter-ring dihedral angle = 86.6 (8)°]. Intra-molecular phenolic O-H⋯O hydrogen bonds with carboxyl O-atom acceptors are present, with these groups also involved in centrosymmetric cyclic inter-molecular O-H⋯O hydrogen-bonding associations [graph set R(2) (2)(4)], giving infinite chains extending across (101).

| S-EPMC3344530 | 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

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