Crystal Structure of a Linear Carbazole-Coumarin Hybrid Dye

Tomoyoshi FUKAGAWA; Noriko KITAMURA; Shigeru KOHTANI; Soh-ichi KITOH; Ko-Ki KUNIMOTO; Ryoichi NAKAGAKI

doi:10.2116/analscix.22.x191

Part 7

Crystal Structure of a Linear Carbazole-Coumarin Hybrid Dye

Tomoyoshi FUKAGAWA, Noriko KITAMURA, Shigeru KOHTANI, Soh-ichi KITOH, Ko-Ki KUNIMOTO, Ryoichi NAKAGAKI

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JOURNAL FREE ACCESS

2006 Volume 22 Pages x191-x192

DOI https://doi.org/10.2116/analscix.22.x191

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Abstract

The crystal structure of 10H-4-methyl-2H-2-oxopyrano[5,6-b]carbazole hydrate was determined by X-ray diffraction. The crystal, 2C₁₆H₁₁NO₂·H₂O, belongs to space group P2₁/a with cell dimensions of a = 7.927(6)Å, b = 22.78(1)Å, c = 13.73(1)Å, β = 102.31(2)°. The final R value is 0.061 for 4651 reflections (I > 2.00 σ(I)). There are two independent coumarin molecules (A, B) and one water molecule in an asymmetric unit. Molecules A and B are linked through the N-H…O=C and the C=O…H-O(water)…H-N hydrogen bondings to form a cyclic hetero dimer.

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