TY - JOUR
T1 - Redetermination of pyridine-4-carbonitrile-chloranilic acid (1/1) at 180 K
AU - Gotoh, Kazuma
AU - Nagoshi, Hirokazu
AU - Ishida, Hiroyuki
PY - 2008
Y1 - 2008
N2 - In the crystal structure of the title compound, C6H4N2·C6H2Cl2O4, 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].
AB - In the crystal structure of the title compound, C6H4N2·C6H2Cl2O4, 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].
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U2 - 10.1107/S1600536808017182
DO - 10.1107/S1600536808017182
M3 - Article
C2 - 21202894
AN - SCOPUS:46749142103
SN - 1600-5368
VL - 64
SP - o1260
JO - Acta Crystallographica Section E: Structure Reports Online
JF - Acta Crystallographica Section E: Structure Reports Online
IS - 7
ER -