Kennedy, Alan R. and Silva De Moraes, Lygia (2016) 4-Ammonio-5-methoxy-2-methylbenzenesulfonate. IUCr Data, 1. x161778. ISSN 2414-3146

[thumbnail of Kennedy-DeMoraes-IUCD2016-4-Ammonio-5-methoxy-2-methylbenzenesulfonate]
Text (Kennedy-DeMoraes-IUCD2016-4-Ammonio-5-methoxy-2-methylbenzenesulfonate)
Final Published Version
License: Creative Commons Attribution 4.0 logo

Download (485kB)| Preview


    The title compound, C8H11NO4S, crystallizes as a zwitterion, with the negatively charged benzenesulfonate group and the positively charged NH3+ group in mutually para positions. All the non-H atoms, except for one O atom of the sulfonate group, lie on a crystallographic mirror plane (Z0 = 1/2). In the crystal, the hydrogen-bonding structure is two-dimensional, propagating in the c-axis direction through a bifurcated hydrogen bond between the NH3+ and the SO3 groups, and in the b-axis direction through an R2 2(16) ring motif involving the same functional groups. This latter hydrogen bonding is supported by offset –interactions [intercentroid distance = 8114 (4) A ° ].

    ORCID iDs

    Kennedy, Alan R. ORCID logoORCID: https://orcid.org/0000-0003-3652-6015 and Silva De Moraes, Lygia ORCID logoORCID: https://orcid.org/0000-0001-9176-8725;