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Di-hydro-cyclam dimaleate [H2(cyclam)(maleate)2].

ABSTRACT: The asymmetric unit of the title mol-ecular salt [systematic name: 1,4,8,11-tetraazacyclotetradecane-1,8-diium bis(3-carboxy-prop-2-enoate)], C10H26N4 (2+)·2C4H3O4 (-), contains two half-cations (both completed by crystallographic inversion symmetry) and two maleate anions. The cyclam macrocycles adopt trans-III conformations, supported by two intra-molecular N-H?O hydrogen bonds. The O-bonded H atom of each maleate ion is disordered over two positions with an occupancy ratio of 0.61?(5):0.39?(5): each one generates an intra-molecular O-H?O hydrogen bond. In the crystal, the cations are linked to the anions by N-H?O hydrogen bonds, generating [001] chains.

SUBMITTER: Mireille Ninon MO

PROVIDER: S-EPMC3790433 | biostudies-other | 2013

REPOSITORIES: biostudies-other

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Di-hydro-cyclam dimaleate [H2(cyclam)(maleate)2].

Mireille Ninon Mbonzi Ombenga MO Fahim Mohammed M Lachkar Mohammed M Marco Contelles José Luis JL Perles Josefina J El Bali Brahim B

Acta crystallographica. Section E, Structure reports online 20130921 Pt 10

The asymmetric unit of the title mol-ecular salt [systematic name: 1,4,8,11-tetraazacyclotetradecane-1,8-diium bis(3-carboxy-prop-2-enoate)], C10H26N4 (2+)·2C4H3O4 (-), contains two half-cations (both completed by crystallographic inversion symmetry) and two maleate anions. The cyclam macrocycles adopt trans-III conformations, supported by two intra-molecular N-H⋯O hydrogen bonds. The O-bonded H atom of each maleate ion is disordered over two positions with an occupancy ratio of 0.61 (5):0.39 (5 ...[more]

PMID: 24098252

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