The title salt, C8H11N2O+·NO3 -, was synthesized by a reaction between 4-methoxybenzamidine (4-amidinoanisole) and nitric acid. The asymmetric unit comprises a non-planar 4-methoxybenzamidinium 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.

4-Methoxybenzamidinium nitrate / Irrera, Simona; Portalone, Gustavo. - In: ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE. - ISSN 1600-5368. - STAMPA. - 68:12(2012), pp. o3334-o3334. [10.1107/S1600536812045874]

4-Methoxybenzamidinium nitrate

IRRERA, SIMONA;PORTALONE, Gustavo
2012

Abstract

The title salt, C8H11N2O+·NO3 -, was synthesized by a reaction between 4-methoxybenzamidine (4-amidinoanisole) and nitric acid. The asymmetric unit comprises a non-planar 4-methoxybenzamidinium 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.
2012
data-to-parameter ratio = 13.6, mean ω(C-C) = 0.003 Å, R factor = 0.038, single-crystal X-ray study, T = 298 K; wR factor = 0.083
01 Pubblicazione su rivista::01a Articolo in rivista
4-Methoxybenzamidinium nitrate / Irrera, Simona; Portalone, Gustavo. - In: ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE. - ISSN 1600-5368. - STAMPA. - 68:12(2012), pp. o3334-o3334. [10.1107/S1600536812045874]
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/11573/494576
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