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2-Amino-6-methyl-pyridinium 3-chloro-benzoate.

ABSTRACT: In the title salt, C6H9N2(+)·C7H4ClO2(-), the 3-chloro-benzoate anion shows a whole-mol-ecule disorder over two positions with a refined occupancy ratio of 0.505?(4):0.495?(4). In the crystal, the cations and anions are linked via N-H?O hydrogen bonds, forming a centrosymmetric 2 + 2 aggregate with R2(2)(8) and R4(2)(8) ring motifs. The crystal structure also features a ?-? stacking inter-action between the pyridinium rings with a centroid-centroid distance of 3.8339?(9)?Å.

SUBMITTER: Thanigaimani K

PROVIDER: S-EPMC3588495 | biostudies-literature | 2013 Mar

REPOSITORIES: biostudies-literature

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2-Amino-6-methyl-pyridinium 3-chloro-benzoate.

Thanigaimani Kaliyaperumal K Khalib Nuridayanti Che NC Arshad Suhana S Razak Ibrahim Abdul IA

Acta crystallographica. Section E, Structure reports online 20130202 Pt 3

In the title salt, C6H9N2(+)·C7H4ClO2(-), the 3-chloro-benzoate anion shows a whole-mol-ecule disorder over two positions with a refined occupancy ratio of 0.505 (4):0.495 (4). In the crystal, the cations and anions are linked via N-H⋯O hydrogen bonds, forming a centrosymmetric 2 + 2 aggregate with R2(2)(8) and R4(2)(8) ring motifs. The crystal structure also features a π-π stacking inter-action between the pyridinium rings with a centroid-centroid distance of 3.8339 (9) Å. ...[more]

PMID: 23476517

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