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The crystal structure of (R,R)-4-bromo-2-{4-[4-bromo-1-(4-toluenesulfonyl)-1H-pyrrol-2-yl]-1,3-dinitrobutan-2-yl}-1-(4-toluenesulfonyl)-1H-pyrrole (1, C26H24Br2N4O8S2) is presented. The title compound was isolated in suitable yield as a by-product in our synthesis of geminal-dimethyl hydrodipyrrins. We observe an unforeseen enantiomeric resolution both in the bulk sample and the crystal of 1, with distinct C--H--O (Cmethyi--H--Onitro, Csp3--H--Osulfonyi) interactions observed in the enantiomers present, along with other interactions, namely C5-pyrrolyl--H-«-Osulfonyl, forming a polymer along the crystallographic caxis direction. Whiist pyrroiic fragments are weii documented in the iiterature, little data is found surrounding the 1,3-dinitrobutane scaffold. [ABSTRACT FROM AUTHOR]

The crystal structure of (R,R)-4-bromo-2-{4-[4-bromo-1-(4-toluenesulfonyl)-1H-pyrrol-2-yl]-1,3-dinitrobutan-2-yl|-1-(4-toluenesulfonyl)-1H-pyrrole (1, C26H24Br2N4O8S2) is presented. The title compound was isolated in suitable yield as a by-product in our synthesis of geminal-dimethyl hydrodipyrrins. We observe an unforeseen enantiomeric resolution both in the bulk sample and the crystal of 1, with distinct C--H⋯O (Cmethyl--H⋯Onitro, C...--H⋯Osulfonyl) interactions observed in the enantiomers present, along with other interactions, namely C5-pyrrolyl--H⋯Osulfonyl, forming a polymer along the crystallographic c-axis direction. Whilst pyrrolic fragments are well documented in the literature, little data is found surrounding the 1,3-dinitrobutane scaffold. [ABSTRACT FROM AUTHOR]

The crystal structures of three S-(pyridin-2-yl) benzo­thio­esters with varying para-phenyl substituents are presented, namely, S-(pyridin-2-yl) 4-nitro­benzo­thio­ate (1, C12H8N2O3S), S-(pyridin-2-yl) 4-methyl­benzo­thio­ate (2, C13H11NO2S) and S-(pyridin-2-yl) 4-meth­oxy­benzo­thio­ate (3, C13H11NO2S). This class of compounds are used in the mono-acyl­ation of pyrrolic species to yield multifunctional tetra­pyrroles. The structures presented herein are the first of their compound class. The dominant inter­actions present in this series are π-π stacking and C--H⋯O inter­actions, and as the para-phenyl motif changes from electron withdrawing (NO2, 1) to electron donating (OCH3, 3), changes are observed in the inter­actions present in the crystal packing, from predominant π-π stacking in 1 to exclusively C--H⋯O/N inter­actions (Car­yl--H⋯Ocarbonyl, C--H⋯Ometh­oxy and Caryl--H⋯Npyridine) in 3. [ABSTRACT FROM AUTHOR]

The crystal structures of three intermediate compounds in the synthesis of 8-bromo-2,3,4,5-tetrahydro-1,3,3-trimethyldipyrrin are reported; 4-bromo-2-formyl-1-tosyl-1H-pyrrole, C12H10BrNO3S, (E)-4-bromo-2-(2-nitrovinyl)-1-tosyl-1H-pyrrole, C13H11BrN2O4S, and 6-(4-bromo-1-tosylpyrrol-2-yl)-4,4-dimethyl-5-nitrohexan-2-one, C19H23BrN2O5S. The compounds show multitudinous intermolecular C--H⋯O interactions, with bond distances and angle consistent in the series and within expectations, as well as varied packing types. The merits of collecting data beyond the standard resolution usually reported for small molecules are discussed. [ABSTRACT FROM AUTHOR]