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2,13-Dibenzyl-5,16-diethyl-2,6,13,17-tetra-aza-tricyclo-[16.4.0.0]docosan-2-ium nitrate.

ABSTRACT: One of the tertiary amine atoms has been protonated in the title salt, C(36)H(57)N(4) (+)·NO(3) (-). The four N atoms of the macrocycle are almost coplanar (r.m.s. deviation = 0.0053?Å), a result correlated with the formation of intra-molecular N-H?N and N-H?(N,N) hydrogen bonds. With respect to this plane, the benzyl groups lie to either side; a similar arrangement pertains for the cyclo-hexyl rings (each with a chair conformation). Helical supra-molecular chains are evident in the crystal, whereby alternating cations and anions are linked by C-H?O inter-actions. The chains are consolidated into supra-molecular arrays in the ab plane via C-H?? contacts involving both benzene rings.

SUBMITTER: Choi JH

PROVIDER: S-EPMC3213608 | biostudies-literature | 2011 Aug

REPOSITORIES: biostudies-literature

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2,13-Dibenzyl-5,16-diethyl-2,6,13,17-tetra-aza-tricyclo-[16.4.0.0]docosan-2-ium nitrate.

Choi Jong-Ha JH Subhan Md Abdus MA Ng Seik Weng SW Tiekink Edward R T ER

Acta crystallographica. Section E, Structure reports online 20110730 Pt 8

One of the tertiary amine atoms has been protonated in the title salt, C(36)H(57)N(4) (+)·NO(3) (-). The four N atoms of the macrocycle are almost coplanar (r.m.s. deviation = 0.0053 Å), a result correlated with the formation of intra-molecular N-H⋯N and N-H⋯(N,N) hydrogen bonds. With respect to this plane, the benzyl groups lie to either side; a similar arrangement pertains for the cyclo-hexyl rings (each with a chair conformation). Helical supra-molecular chains are evident in the crystal, whe ...[more]

PMID: 22091185

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