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The crystal structure of the title compound (C8H7BrN2O2, Mr=243.07) was isolated from the marine sponge Phacellia fusca Schmidt collected from the South 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) ?, V=1800.1(2) ?3, Z=8, Dc=1.794g/cm3, (=0.71073 ?, ( (MoK()=4.533mm-1, F(000)=960. The structrue was refined to R=0.0349, wR(F2)=0.0925 for 1589 reflections with I > 2((I). X-ray diffraction analysis reveals that the title compound has one five-membered pyrrole ring and one seven-membered azepin ring. There are two intermolecular hydrogen bonds between two molecules.
The crystal structure of the title compound (C8H7BrN2O2, Mr = 243.07) was isolated from the marine sponge Phacellia fusca Schmidt collected from the South 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), V = 1800.1 (2)? 3, Z = 8, Dc = 1.794g / cm3, ((MoK) = 4.533 mm-1, F (000) = 960. The structrue was refined to R = 0.0349 and wR (F2) = 0.0925 for 1589 reflections with I> 2 reveals that the title compound has one five-membered pyrrole ring and one seven-membered azepin ring. There are two intermolecular hydrogen bonds between two molecules.