2-Nitro-N-(4-pyridinio)benzenesulfonamidate

Abstract

Key indicators: single-crystal X-ray study; T = 294 K; mean (C-C) = 0.007 Å; R factor = 0.058; wR factor = 0.174; data-to-parameter ratio = 12.5.The title compound, C 11 H 9 N 3 O 4 S, crystallizes with two molecules in the asymmetric unit; each molecule exists as a zwitterion in the solid state. Intermolecular N-HÁ Á ÁN hydrogen bonds link the molecules into chains. Weak C-HÁ Á ÁO interactions further stabilize the crystal structure. Related literature ExperimentalCrystal data Data collectionBruker SMART 1K CCD areadetector diffractometer Absorption correction: multi-scan (SADABS; Sheldrick, 1996) T min = 0.924, T max = 0.948 6351 measured reflections 4357 independent reflections 2918 reflections with I > 2(I) R int = 0.026