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4-Meth-oxy-benzamidinium hydrogen sulfate.

ABSTRACT: 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.

SUBMITTER: Irrera S

PROVIDER: S-EPMC3515322 | biostudies-literature | 2012 Nov

REPOSITORIES: biostudies-literature

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4-Meth-oxy-benzamidinium hydrogen sulfate.

Irrera Simona S Portalone Gustavo G

Acta crystallographica. Section E, Structure reports online 20121031 Pt 11

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 ...[more]

PMID: 23284542

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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.

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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.

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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.

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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)°.

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Project description: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.

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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.

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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.

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3-(3-Meth-oxy-phen-yl)benzo[d]thia-zolo[3,2-a]imidazol-9-ium hydrogen sulfate.

Project description:In the title mol-ecular salt, C(16)H(13)N(2)OS(+)·HSO(4) (-), the thia-zolo[3,2-a]benzimidazolium ring system is roughly planar [maximum deviation = 0.046?(3)?Å] and makes a dihedral angle of 58.22?(11)° with the benzene ring. The meth-oxy group is almost coplanar with its attached benzene ring [C(meth-yl)-O-C-C = -1.6?(5)°]. In the crystal, the cation is linked to the anion by a bifurcated N-H?(O,O) hydrogen bond, generating an R(1) (2)(4) ring motif. The ion pairs are then connected by a C-H?O hydrogen bond into inversion dimers and these dimers are further linked by O-H?O hydrogen bonds into an infinite tape along [100]. A ?-? stacking inter-action [centroid-to-centroid distance = 3.5738?(18)?Å] and a short inter-molecular contact [S?O = 2.830?(3)?Å] are also observed.

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3-(4-Meth-oxy-phen-yl)-1,3-selenazolo[2,3-b][1,3]benzo-thia-zol-4-ium hydrogen sulfate.

Project description:The title compound, C16H12NOSSe(+)·HSO4 (-), was obtained from a mixture of 3-(4-meth-oxy-phen-yl)[1,3]selenazolo[2,3-b][1,3]benzo-thia-zol-4-ium chloride and potassium hydrogen sulfate. In the cation, the benzene ring is twisted by 71.62?(7)° from the tricycle mean plane. In the crystal, O-H?O hydrogen bonds link the anions into chains along [100]. The anions in adjacent chains are linked via weak C-H?O hydrogen bonds. The crystal packing exhibits short inter-molecular contacts between the chalcogen unit and the O atoms: Se?O(anion) 2.713?(3), Se?O(cation) 2.987?(3) and S?O(anion) 2.958?(3)?Å.

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