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-crysta...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.展开更多
文摘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.
