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Benzene-1,3,5-tricarb-oxy-lic acid-5-(pyridin-1-ium-3-yl)-5H-1,2,3,4-tetra-zol-5-ide (1/1).

ABSTRACT: The asymmetric unit of the title compound, C(6)H(5)N(5)·C(9)H(6)O(6), comprises a full mol-ecule each of neutral trimesic acid (tma) and zwitterionic 5-(pyridin-1-ium-3-yl)-5H-1,2,3,4-tetra-zol-5-ide (ptz). The components are linked into a two-dimensional layer by a combination of O-H?O, O-H?N, N-H?O and N-H?N hydrogen bonds parallel to the (10[Formula: see text]) plane. Layers comprising alternating rows of tma and ptz are linked into a three-dimensional network by C-H?O and ?-? inter-actions between tma and tetra-zolate rings [centroid-centroid distance = 3.763?(2)?Å], and between pyridinium and tetra-zolate rings [centroid-centroid distance = 3.745?(2)?Å].

SUBMITTER: Meng GX 

PROVIDER: S-EPMC3151784 | biostudies-literature | 2011 Jul

REPOSITORIES: biostudies-literature

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Benzene-1,3,5-tricarb-oxy-lic acid-5-(pyridin-1-ium-3-yl)-5H-1,2,3,4-tetra-zol-5-ide (1/1).

Meng Gao-Xiang GX   Ding Hao H   Feng Ya-Min YM   Zhu Jian-Hui JH   Yang He-Lin HL  

Acta crystallographica. Section E, Structure reports online 20110611 Pt 7

The asymmetric unit of the title compound, C(6)H(5)N(5)·C(9)H(6)O(6), comprises a full mol-ecule each of neutral trimesic acid (tma) and zwitterionic 5-(pyridin-1-ium-3-yl)-5H-1,2,3,4-tetra-zol-5-ide (ptz). The components are linked into a two-dimensional layer by a combination of O-H⋯O, O-H⋯N, N-H⋯O and N-H⋯N hydrogen bonds parallel to the (10[Formula: see text]) plane. Layers comprising alternating rows of tma and ptz are linked into a three-dimensional network by C-H⋯O and π-π inter-actions b  ...[more]

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