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4-(2-Iso­propyl-5-methyl­phenoxy)­phthalo­nitrile

✍ Scribed by Atalay, Şehriman ;Agˇar, Ayşen ;Akdemir, Nesuhi ;Agˇar, Erbil

Publisher
International Union of Crystallography
Year
2003
Tongue
English
Weight
336 KB
Volume
59
Category
Article
ISSN
1600-5368

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✦ Synopsis

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) = 0.004 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.

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The supramolecular structure of the title compound, C 28 H 28 N 2 O 2 , is de®ned by weak CÐHÁ Á Á% interactions. The peripheral aromatic rings lie in approximately orthogonal planes, conferring on the molecule a twisted conformation.

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Single-crystal X-ray study T = 293 K Mean '(C±C) = 0.005 A Ê R factor = 0.039 wR factor = 0.113 Data-to-parameter ratio = 7.7 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.

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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.

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