Single-crystal X-ray study T = 293 K Mean '(C±C) = 0.004 A Ê Disorder in main residue R factor = 0.052 wR factor = 0.167 Data-to-parameter ratio = 15.2 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.
4,5-Bis(2-tert-butylphenoxy)phthalonitrile
✍ Scribed by Ocak, Nazan ;Işık, Şamil ;Akdemir, Nesuhi ;Kantar, Cihan ;Ağar, Erbil
- Publisher
- International Union of Crystallography
- Year
- 2004
- Tongue
- English
- Weight
- 177 KB
- Volume
- 60
- Category
- Article
- ISSN
- 1600-5368
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✦ Synopsis
The title compound, C 28 H 28 N 2 O 2 , contains three aromatic rings, which are not coplanar and which are distorted from ideal C 2v symmetry. The crystal structure involves four intramolecular CÐHÁ Á ÁO hydrogen bonds.
📜 SIMILAR VOLUMES
The molecular conformation of the title compound, C~18~H~16~N~2~O, is stabilized by two intramolecular C—H...O interactions. The crystal packing is characterized by C—H...N hydrogen bonds.
In the title compound, C 18 H 16 N 2 O, two benzene rings are connected by an O atom, and the dihedral angle between them is 86.83 (1) . The CÐOÐC angle is 118.50 (14) .
In the title compound, C 16 H 12 N 2 O 2 , the dihedral angle between the two benzene rings is 85.53 (5) . The crystal structure is stabilized by intermolecular CÐHÁ Á ÁO hydrogen bonds and CÐHÁ Á Á% interactions.