Isolation and crystal structure of 2-bromoaldisin

Citation
Hh. Xu et al., Isolation and crystal structure of 2-bromoaldisin, CHIN J ST C, 20(3), 2001, pp. 173-175
Citations number
4
Language
INGLESE
art.tipo
Article
Categorie Soggetti
Inorganic & Nuclear Chemistry
Journal title
CHINESE JOURNAL OF STRUCTURAL CHEMISTRY
ISSN journal
0254-5861 → ACNP
Volume
20
Issue
3
Year of publication
2001
Pages
173 - 175
Database
ISI
SICI code
0254-5861(2001)20:3<173:IACSO2>2.0.ZU;2-9
Abstract
The crystal structure of the title compound (C8H7BrN2O2, Mr=243.07) was iso lated from the marine sponge Phacellia fusca Schmidt collected from the Sou th China Sea. Its crystal structure was determined by single-crystal X-ray diffraction. The crystal is orthorhombic with space group Pbca, a=12.9952(8 ), b=7.4479(5), c=18.598(1) Angstrom, V=1800.1(2) Angstrom (3), Z=8, D-c=1. 794g/cm(3), lambda =0.71073 Angstrom, mu (MoK alpha) = 4.533 mm(-1), F(000) =960. The structrue was refined to R=0.0349, wR(F-2)=0.0925 for 1589 reflec tions with I > 2 sigma (I). X-ray diffraction analysis reveals that the tit le compound has one five-membered pyrrole ring and one seven-membered azepi n ring. There are two intermolecular hydrogen bonds between two molecules.