4-[4-(1,3-Dioxo-2,3-dihydro-1H-isoindol-2-yl)butoxy]phthalonitrile
✍ Scribed by Zhu, Xiao-Li ;Lin, Mei-Jin ;Wang, Jun-Dong ;Chen, Nai-Sheng ;Huang, Jin-Ling
- Publisher
- International Union of Crystallography
- Year
- 2005
- Tongue
- English
- Weight
- 121 KB
- Volume
- 61
- Category
- Article
- ISSN
- 1600-5368
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✦ Synopsis
The title compound, C 20 H 15 N 3 O 3 , consists a phthalonitrile group and an isoindole-1,3-dione group connected by a flexible butoxy chain. The dihedral angle between these two groups is 70.47 (3) . Partial face-to-face overlap between the phthalonitrile groups of centrosymmetrically related molecules is observed. In addition, the crystal packing is stabilized by C-HÁ Á ÁO hydrogen bonds.
📜 SIMILAR VOLUMES
Single-crystal X-ray study T = 293 K Mean '(C±C) = 0.005 A Ê Disorder in main residue R factor = 0.062 wR factor = 0.168 Data-to-parameter ratio = 12.6 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.
The sulfone S atom of the title compound, C~26~H~14~N~4~O~6~S, lies on a twofold rotation axis. The dihedral angle between the phthalimide unit and the pyridyl ring is 50.2 (1)°.
Single-crystal X-ray study T = 150 K Mean '(C±C) = 0.003 A Ê Disorder in solvent or counterion R factor = 0.045 wR factor = 0.118 Data-to-parameter ratio = 20.2 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) = 0.004 A Ê R factor = 0.055 wR factor = 0.165 Data-to-parameter ratio = 13.7 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.