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.