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

نویسندگان

  • Kazuma Gotoh
  • Hirokazu Nagoshi
  • Hiroyuki Ishida
چکیده

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].

برای دانلود متن کامل این مقاله و بیش از 32 میلیون مقاله دیگر ابتدا ثبت نام کنید

ثبت نام

اگر عضو سایت هستید لطفا وارد حساب کاربری خود شوید

منابع مشابه

Pyridine-3-carbonitrile–chloranilic acid–acetonitrile (2/1/2)

In the crystal structure of the title compound, 2C(6)H(4)N(2)·C(6)H(2)Cl(2)O(4)·2C(2)H(3)N, the two symmetry-related pyridine-3-carbonitrile mol-ecules are linked to either side of a chloranilic acid (systematic name: 2,5-dichloro-3,6-dihydr-oxy-1,4-benzoquinone) mol-ecule via inter-molecular O-H⋯N hydrogen bonds, giving a centrosymmetric 2:1 unit. The dihedral angle between the pyridine ring a...

متن کامل

Crystal structures of two 1:2 dihydrate compounds of chloranilic acid with 2-carb­oxy­pyridine and 2-carb­oxy­quinoline

The crystal structure of the 1:2 dihydrate compound of chloranilic acid (systematic name: 2,5-di-chloro-3,6-dihy-droxy-1,4-benzo-quinone) with 2-carb-oxy-pyridine (another common name: picolinic acid; systematic name: pyridine-2-carb-oxy-lic acid), namely, 2C6H5.5NO20.5+·C6HCl2O4-·2H2O, (I), has been determined at 180 K, and the structure of the 1:2 dihydrate compound of chloranilic acid with 2...

متن کامل

Chloranilic acid: a redetermination at 100 K

The crystal structure of chloranilic acid, C(6)H(2)Cl(2)O(4), was first described by Andersen in 1967 [Andersen, E. K. (1967). Acta Cryst. 22, 188-191] at room temperature using visually estimated intensities. Taking into account the importance of the title compound, we have redetermined the structure at 100 (1) K. The approximately planar mol-ecule [the maximum deviation from the mean plane th...

متن کامل

Oxalic acid–pyridine-4-carbonitrile (1/2)

In the title compound, 2C(6)H(4)N(2)·C(2)H(2)O(4), the oxalic acid mol-ecule lies about an inversion center. The pyridine ring of the pyridine-4-carbonitrile mol-ecule is almost planar, the largest deviation from the least-squares plane being 0.006 (1) Å; the nitrile N atom deviates from this plane by 0.114 (1) Å. In the crystal, the oxalic acid mol-ecules and the pyridine-4-carbonitrile mol-ec...

متن کامل

Triprolidinium dichloranilate–chloranilic acid–methanol–water (2/1/2/2)

In the triprolidinium cation of the title compound {systematic name: 2-[1-(4-methyl-phen-yl)-3-(pyrrolidin-1-ium-1-yl)prop-1-en-1-yl]pyridin-1-ium bis-(2,5-dichloro-4-hy-droxy-3,6-dioxo-cyclo-hexa-1,4-dien-1-olate)-2,5-dichloro-3,6-dihy-droxy-cyclo-hexa-2,5-diene-1,4-dione-methanol-water (2/1/2/2)}, C(19)H(24)N(2) (2+)·2C(6)HCl(2)O(4) (-)·0.5C(6)H(2)Cl(2)O(4)·CH(3)OH·H(2)O, the N atoms on both ...

متن کامل

ذخیره در منابع من


  با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید

برای دانلود متن کامل این مقاله و بیش از 32 میلیون مقاله دیگر ابتدا ثبت نام کنید

ثبت نام

اگر عضو سایت هستید لطفا وارد حساب کاربری خود شوید

عنوان ژورنال:

دوره 64  شماره 

صفحات  -

تاریخ انتشار 2008