Crystal structure of o-carboxyphenylfluorone as a multifunctional dye

Takako Yamaguchi, Mitsuru Hoshino, Kanako Miyachi, Shinichiro Kamino, Ryousuke Nakahara, Mitsunobu Doi, Mamiko Asano, Hitoshi Matsumura, Yoshikazu Fujita

Research output: Contribution to journalArticle

Abstract

The crystal structure of o-carboxyphenylfluorone (denoted OCPF) was determined by X-ray diffraction. This compound crystallizes in triclinic, space group P1- with a = 8.738(2), b = 9.394(2), c = 11.712(2)Å, α = 107.747(3)°, β = 93.435(3)°, γ = 91.447(3)°, V = 913.0(3)Å3, Z = 2. The final R value is 0.0730. The structure takes a dihedral formation consisting of xanthene and benzene carboxylic rings and tautomers. They exist with a zwitterionic character; the dihedral angle between the xanthene and benzene rings systems is 69.22(5)°, and the end of the rings of xanthene are inclined to each other at an angle of about 6.6(1)°.

Original languageEnglish
Pages (from-to)9-10
Number of pages2
JournalX-ray Structure Analysis Online
Volume32
Issue number3
DOIs
Publication statusPublished - Mar 10 2016

ASJC Scopus subject areas

  • Analytical Chemistry
  • Materials Chemistry

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    Yamaguchi, T., Hoshino, M., Miyachi, K., Kamino, S., Nakahara, R., Doi, M., Asano, M., Matsumura, H., & Fujita, Y. (2016). Crystal structure of o-carboxyphenylfluorone as a multifunctional dye. X-ray Structure Analysis Online, 32(3), 9-10. https://doi.org/10.2116/xraystruct.32.9