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Redetermination of pyridine-4-carbonitrile-chloranilic acid (1/1) at 180 K.


ABSTRACT: In the crystal structure of the title compound, C(6)H(4)N(2)·C(6)H(2)Cl(2)O(4), two chloranilic acid (systematic name: 2,5-dichloro-3,6-dihydr-oxy-1,4-benzoquinone) mol-ecules are connected by O-H?O hydrogen bonds to form a dimeric unit. The pyridine-4-carbonitrile mol-ecules are linked on both sides of the dimer via N?H?O hydrogen bonds to give a centrosymmetric 2:2 complex of pyridine-4-carbonitrile and chloranilic acid. The H atom in the N?H?O hydrogen bond is disordered over two positions with approximately equal occupancies. The pyridine ring makes a dihedral angle of 61.54?(14)° with the chloranilic acid plane. The 2:2 units are further linked by inter-molecular C-H?O and C-H?Cl hydrogen bonds. This determination presents a siginficantly higher precision crystal structure than the previously published structure [Tomura & Yamasshita (2008 ?). X-ray Struct. Anal. Online, 24, x31-x32].

SUBMITTER: Gotoh K 

PROVIDER: S-EPMC2961658 | biostudies-literature | 2008 Jun

REPOSITORIES: biostudies-literature

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Redetermination of pyridine-4-carbonitrile-chloranilic acid (1/1) at 180 K.

Gotoh Kazuma K   Nagoshi Hirokazu H   Ishida Hiroyuki H  

Acta crystallographica. Section E, Structure reports online 20080613 Pt 7


In the crystal structure of the title compound, C(6)H(4)N(2)·C(6)H(2)Cl(2)O(4), two chloranilic acid (systematic name: 2,5-dichloro-3,6-dihydr-oxy-1,4-benzoquinone) mol-ecules are connected by O-H⋯O hydrogen bonds to form a dimeric unit. The pyridine-4-carbonitrile mol-ecules are linked on both sides of the dimer via N⋯H⋯O hydrogen bonds to give a centrosymmetric 2:2 complex of pyridine-4-carbonitrile and chloranilic acid. The H atom in the N⋯H⋯O hydrogen bond is disordered over two positions wi  ...[more]

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