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2-Amino-3-(hy-droxy-meth-yl)pyridinium 2-benzoyl-benzoate monohydrate.

ABSTRACT: In the title hydrated salt, C(6)H(9)N(2)O(+)·C(14)H(9)O(3) (-)·H(2)O, the dihedral angle between the benzene rings of the 2-benzoyl-benzoate anion is 82.04 (14)°, while the angles between the aromatic ring of the pyridinium cation and each of the benzene rings of the anion are 4.42 (14) and 82.04 (14)°. In the crystal, mol-ecules are linked by N-H⋯O and O-H⋯O hydrogen bonds, generating a three-dimensional network with R(2) (2)(8), R(6) (6)(16) and R(4) (4)(6) motifs. The crystal packing is further stabilized by two π-π inter-actions, one between pyridinium rings, and another between the benzene benzoate and pyridinium rings of neighbouring mol-ecules, with centroid-to-centroid distances of 3.559 (2) and 3.606 (2) Å, respectively.

SUBMITTER: Odabasoglu HY

PROVIDER: S-EPMC3295483 | biostudies-literature | 2012 Mar

REPOSITORIES: biostudies-literature

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2-Amino-3-(hy-droxy-meth-yl)pyridinium 2-benzoyl-benzoate monohydrate.

Odabaşoğlu Hakkı Yasin HY Büyükgüngör Orhan O Avinç Osman Ozan OO Odabaşoğlu Mustafa M

Acta crystallographica. Section E, Structure reports online 20120217 Pt 3

In the title hydrated salt, C(6)H(9)N(2)O(+)·C(14)H(9)O(3) (-)·H(2)O, the dihedral angle between the benzene rings of the 2-benzoyl-benzoate anion is 82.04 (14)°, while the angles between the aromatic ring of the pyridinium cation and each of the benzene rings of the anion are 4.42 (14) and 82.04 (14)°. In the crystal, mol-ecules are linked by N-H⋯O and O-H⋯O hydrogen bonds, generating a three-dimensional network with R(2) (2)(8), R(6) (6)(16) and R(4) (4)(6) motifs. The crystal packing is furth ...[more]

PMID: 22412594

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