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5,13-Disulfamoyl-1,9-diazatetracyclo[7.7.1.0.0]heptadeca-2(7),3,5,10,12,14-hexaen-1-ium chloride.

ABSTRACT: In the title salt, C(15)H(17)N(4)O(4)S(2) (+)·Cl(-), the chloride anion is disordered over two positions with occupancies of 0.776?(6) and 0.224?(6). The cation adopts an L shape and the dihedral angle between the benzene rings is 82.5?(3)°. In the crystal, inversion dimers of cations linked by pairs of N-H?N hydrogen bonds occur, with the bond arising from the protonated N atom. The cationic dimers are linked into chains via the disordered chloride ions by way of N-H?Cl hydrogen bonds and N-H?O, C-H?O and C-H?Cl inter-actions also occur, which help to consolidate the three-dimensional network.

SUBMITTER: Xu Y 

PROVIDER: S-EPMC3201434 | biostudies-other | 2011 Oct

REPOSITORIES: biostudies-other

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5,13-Disulfamoyl-1,9-diazatetracyclo[7.7.1.0.0]heptadeca-2(7),3,5,10,12,14-hexaen-1-ium chloride.

Xu Yichao Y   Jin Shouwen S   Zhu Jianlong J   Liu Yingjia Y   Shi Chuanchuan C  

Acta crystallographica. Section E, Structure reports online 20110930 Pt 10

In the title salt, C(15)H(17)N(4)O(4)S(2) (+)·Cl(-), the chloride anion is disordered over two positions with occupancies of 0.776 (6) and 0.224 (6). The cation adopts an L shape and the dihedral angle between the benzene rings is 82.5 (3)°. In the crystal, inversion dimers of cations linked by pairs of N-H⋯N hydrogen bonds occur, with the bond arising from the protonated N atom. The cationic dimers are linked into chains via the disordered chloride ions by way of N-H⋯Cl hydrogen bonds and N-H⋯O  ...[more]