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4-Chloro-3-(2,3,5-tri­methyl­phenoxy)­phthalo­nitrile

✍ Scribed by Yazıcı, Serap ;Akdemir, Nesuhi ;Ağar, Erbil ;Kantar, Cihan ;Şenel, İsmet


Publisher
International Union of Crystallography
Year
2005
Tongue
English
Weight
139 KB
Volume
61
Category
Article
ISSN
1600-5368

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✦ Synopsis


The asymmetric unit of the title compound, C 17 H 13 ClN 2 O, contains two independent molecules with no significant difference in their structures. The molecules are non-planar. The dihedral angle between the two benzene rings is 79.20 (8) in one molecule and 79.54 (8) in the other.


📜 SIMILAR VOLUMES


4-(2,3,5-Trimethyl­phen­oxy)phthalonitri
✍ Akbal, Tufan ;Akdemir, Nesuhi ;Ağar, Erbil ;Kantar, Cihan ;Erdönmez, Ahmet 📂 Article 📅 2005 🏛 International Union of Crystallography 🌐 English ⚖ 133 KB
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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) .

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Single-crystal X-ray study T = 293 K Mean '(C±C) = 0.002 A Ê R factor = 0.038 wR factor = 0.111 Data-to-parameter ratio = 19.0 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.

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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.

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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.