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organic compounds Acta Crystallographica Section E Structure Reports Online

By Bruker Smart and Apexii Ccd

Abstract

R factor = 0.050; wR factor = 0.128; data-to-parameter ratio = 34.1. In title compound, C7H8N2S, the five-membered rings are twisted by a dihedral angle of 5.17 (10). Two intermolecular N—H N and C—H N hydrogen bonds to the same acceptor N atom form seven-membered rings, producing R2 1 (7) ring motifs. These interactions link neighbouring molecules into one-dimensional chains extended along the c axis. The crystal structure is further stabilized by weak intermolecular C—H interactions. Related literature For reference geometrical data, see: Allen et al. (1987). For details of hydrogen-bond motifs, see: Bernstein et al. (1995). For a related structure and the synthesis, see, Kia et al. (2008); Stibrany et al. (2004). For the applications of imidazolin

Year: 2009
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