The 1:1 complex of 2-chloro-4-nitrobenzoic acid and 1,2,3-benzotriazole
✍ Scribed by Ishida, Hiroyuki ;Fukunaga, Takeo ;Kashino, Setsuo
- Publisher
- International Union of Crystallography
- Year
- 2002
- Tongue
- English
- Weight
- 139 KB
- Volume
- 58
- Category
- Article
- ISSN
- 1600-5368
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Single-crystal X-ray study T = 300 K Mean '(C±C) = 0.004 A Ê R factor = 0.051 wR factor = 0.119 Data-to-parameter ratio = 16.0 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.
Single-crystal X-ray study T = 298 K Mean '(C±C) = 0.003 A Ê R factor = 0.046 wR factor = 0.087 Data-to-parameter ratio = 13.5 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.
In the crystal structure of the title 1:2 cocrystal, C~10~H~8~N~2~·2C~7~H~4~ClNO~4~, the two components are held together by short O—H...N hydrogen bonds. The pyridine rings of the bipyridyl molecule are twisted by 27.90 (5)° with respect to each other. The 1:2 units are connected by C—H...O hydroge
In the title molecule, C 22 H 15 Cl 2 N 3 O 3 , the benzotriazole mean plane makes dihedral angles with the two benzene rings of 11.29 (1) and 84.90 (1) . Weak intermolecular C-HÁ Á ÁO hydrogen bonds link the molecules into chains extended along the b axis.
In the title compound, C 22 H 16 ClN 3 O 3 , molecules are linked into chains along the c axis by C-HÁ Á ÁO hydrogen bonds, while other C-HÁ Á ÁN hydrogen bonds connect the chains into two-dimensional layers. The packing is further stabilized byinteractions.