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4-Meth-oxy-benzamidinium 2,6-dimeth-oxy-benzoate.

ABSTRACT: The title compound, C(8)H(11)N(2)O(+)·C(9)H(9)O(4) (-), was synthesized by the reaction of 4-meth-oxy-benzamidine (4-amidino-anisole) and 2,6-dimeth-oxy-benzoic acid. The structure consists of non-planar pairs of hydrogen-bonded 4-meth-oxy-benzamidinium cations and 2,6-dimeth-oxy-benzoate anions. In the cation, the amidinium group is tilted by 27.94 (10)° with respect to the benzene ring. In the anion, the sterically bulky ortho-meth-oxy substituents force the carb-oxy-ate group to be twisted away from the plane of the benzene ring by 73.24 (6)°. The ions are further associated in the crystal into chains along the b-axis direction by inter-molecular N-H⋯O hydrogen bonds.

SUBMITTER: Portalone G

PROVIDER: S-EPMC3274967 | biostudies-literature |

REPOSITORIES: biostudies-literature

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Benzamidinium 2-meth-oxy-benzoate.

Project description:The title mol-ecular salt, C7H9N2 (+.)C8H7O3 (-), was synthesized by reaction between benzamidine (benzene-carboximidamide) and 2-meth-oxy-benzoic acid. In the cation, the amidinium group has two similar C-N bonds [1.3070?(17) and 1.3145?(16)?Å] and is almost coplanar with the benzene ring, making a dihedral angle of 5.34?(12)°. In the anion, the meth-oxy substituent forces the carboxyl-ate group to be twisted by 69.45?(6)° with respect to the plane of the aromatic fragment. In the crystal, the components are connected by two N(+)-H?O(-) (±)CAHB (charge-assisted hydrogen bonds), forming centrosymmetric ionic dimers with graph-set motif R 2 (2)(8). These ionic dimers are then joined in ribbons running along the b-axis direction by another R 4 (2)(8) motif involving the remaining N(+)-H?O(-) hydrogen bonds. Remarkably, at variance with the well known carb-oxy-lic dimer R 2 (2)(8) motif, the carboxyl-ate-amidinium pair is not planar, the dihedral angle between the planes defined by the CN2 (+) and CO2 (-) atoms being 18.57?(12)°.

| S-EPMC3770387 | biostudies-literature

Methyl 2,6-bis-[(5-bromo-4,6-dimeth-oxy-pyrimidin-2-yl)-oxy]benzoate.

Project description:In the title compound, C(20)H(18)Br(2)N(4)O(8), the inter-planar angle of the pyrimidine rings is 75.1 (2)°. The central benzene ring is inclined at inter-planar angles of 66.5 (2) and 71.9 (2)° with respect to the two pyrimidine rings. In the crystal structure, adjacent mol-ecules are connected into two-mol-ecule-thick arrays parallel to the bc plane via short Br⋯Br [3.5328 (12) Å] and Br⋯O [3.206 (3) and 3.301 (4) Å] inter-actions. A weak inter-molecular π-π aromatic stacking inter-action [centroid-centroid distance = 3.526 (3) Å] is also observed.

| S-EPMC3006963 | biostudies-literature

4-Meth-oxy-benzamidinium bromide.

Project description:The title salt, C8H11N2O(+)·Br(-), was synthesized by the reaction between 4-meth-oxy-benzamidine (4-amidino-anisole) and hydro-bromic acid. In the cation, the amidinium group has two similar C-N bonds [1.304?(2) and 1.316?(2)?Å], and its plane forms a dihedral angle of 31.08?(5)° with the benzene ring. The ions are associated in the crystal into a three-dimension hydrogen-bonded supra-molecular network featuring N-H(+)?Br(-) inter-actions.

| S-EPMC3588269 | biostudies-literature

4-Meth-oxy-benzamidinium nitrate.

Project description:The title salt, C8H11N2O(+)·NO3(-), was synthesized by a reaction between 4-meth-oxy-benzamidine (4-amidino-anisole) and nitric acid. The asymmetric unit comprises a non-planar 4-meth-oxy-benzamidinium cation and a nitrate anion. In the cation, the amidinium group has two similar C-N bond lengths [1.302 (3) and 1.313 (3) Å] and its plane forms a dihedral angle of 32.66 (5)° with the mean plane of the benzene ring. The nitrate-amidinium ion pair is not planar, as the dihedral angle between the planes defined by the CN2(+) and NO3(-) units is 19.28 (6)°. The ionic components are associated in the crystal via N-H⋯O hydrogen bonds, resulting in a three-dimensional network.

| S-EPMC3588936 | biostudies-literature

4-Meth-oxy-benzamidinium chloride monohydrate.

Project description:In the cation of the title compound, C(8)H(11)N(2)O(+)·Cl(-)·H(2)O, the C-N bonds of the amidinium group are identical within experiemental error [1.305?(2) and 1.304?(2)?Å], and its plane forms a dihedral angle of 25.83?(8)° with the phenyl ring. The ionic components are associated in the crystal into polymeric hydrogen-bonded supra-molecular tapes stabilized by N-H(+)?Cl(-) and N-H(+)?Ow inter-molecular hydrogen bonds, and by Ow-H?Cl(-) inter-actions.

| S-EPMC3515188 | biostudies-literature

4-Meth-oxy-benzamidinium hydrogen sulfate.

Project description:The title salt, C(8)H(11)N(2)O(+)·HSO(4) (-), has been synthesized by the reaction between 4-meth-oxy-benzamidine and sulfuric acid. The asymmetric unit comprises a nonplanar 4-meth-oxy-benzamidinium cation and one hydrogen sulfate anion. In the cation, the amidinium group has two identical C-N bonds [1.306?(2) and 1.308?(2)?Å], and its plane forms a dihedral angle of 6.49?(8)° with the mean plane of the benzene ring. The ionic components are associated in the crystal via N-H(+)?O(-), resulting in chains running approximately along the b-axis direction whicg are interconnected by O-H?O(-) hydrogen bonds.

| S-EPMC3515322 | biostudies-literature

Methyl (E)-3,5-dimeth-oxy-2-{[2-(4-meth-oxy-benzo-yl)hydrazin-1-yl-idene]meth-yl}benzoate.

Project description:In the title compound, C(19)H(20)N(2)O(6), the azomethine [C=N = 1.269?(2)?Å] double bond adopts an E conformation and the dihedral angle between the planes of the benzene rings is 17.41?(11)°. In the crystal, inversion dimers linked by pairs of N-H?O hydrogen bonds generate R(2) (2)(16) loops. The dimers are connected by C-H?O and C-H?N hydrogen bonds, forming sheets lying parallel to (100).

| S-EPMC3435694 | biostudies-literature

4-Meth-oxy-benzamidinium hydrogen oxalate monohydrate.

Project description:The title hydrated salt, C8H11N2O(+)·C2HO4(-)·H2O, was synthesized by a reaction of 4-meth-oxy-benzamidine (4-amidino-anisole) and oxalic acid in water solution. In the cation, the amidinium group forms a dihedral angle of 15.60 (6)° with the mean plane of the benzene ring. In the crystal, each amidinium unit is bound to three acetate anions and one water mol-ecule by six distinct N-H⋯O hydrogen bonds. The ion pairs of the asymmetric unit are joined by two N-H⋯O hydrogen bonds into ionic dimers in which the carbonyl O atom of the semi-oxalate anion acts as a bifurcated acceptor, thus generating an R(1)2(6) motif. These subunits are then joined through the remaining N-H⋯O hydrogen bonds to adjacent semi-oxalate anions into linear tetra-meric chains running approximately along the b axis. The structure is stabilized by N-H⋯O and O-H⋯O inter-molecular hydrogen bonds. The water mol-ecule plays an important role in the cohesion and the stability of the crystal structure being involved in three hydrogen bonds connecting two semi-oxalate anions as donor and a benzamidinium cation as acceptor.

| S-EPMC3588951 | biostudies-literature

4-Meth-oxy-benzamidinium acetate.

Project description:The title compound, C8H11N2O(+)·CH3CO2(-), was synthesized by a reaction between 4-meth-oxy-benzamidine (4-amidino-anisole) and acetic acid. In the cation, the amidinium group forms a dihedral angle of 11.65?(17)° with the mean plane of the benzene ring. The ionic components are associated in the crystal via N-H(+)?O(-) hydrogen bonds, resulting in a one-dimensional structure consisting of dimers and catemers and orientated approximately along the c axis.

| S-EPMC3588825 | biostudies-other

Methyl 2,6-bis-[(5-chloro-4,6-dimeth-oxy-pyrimidin-2-yl)-oxy]benzoate.

Project description:In the title compound, C(20)H(18)Cl(2)N(4)O(8), the two pyrimidine rings are inclined at dihedral angles of 66.68?(5) and 71.91?(6)° with respect to the central benzene ring. In the crystal structure, inter-molecular C-H?N hydrogen bonds link neighbouring mol-ecules into a ribbon-like structure along the b axis. The ribbons are inter-connected into a two-dimensional network parallel to the bc plane by short inter-molecular Cl?Cl [3.4427?(6)?Å] and Cl?O [3.1420?(9) and 3.1750?(11)?Å] inter-actions. The crystal structure is further stabilized by inter-molecular ?-? inter-actions [centroid-centroid distance 3.4552?(8)?Å] involving the pyrimidine rings.

| S-EPMC3006847 | biostudies-other

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