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3,14-Dimethyl-2,6,13,17-tetra-aza-tricyclo-[16.4.0.0]docosa-ne-(naphthalen-1-yl)methanol (1/2).

ABSTRACT: In the title co-crystal, C(20)H(40)N(4)·2C(11)H(10)O, the macrocycle is generated by a crystallographic inversion centre. The N atoms show a pyramidal coordination, and the cyclo-hexane ring that is fused to the 14-membered C(10)N(4) ring exists in a chair conformation, whereas the methyl substituent occupies an axial site. The (naphthalen-1-yl)methanol mol-ecule forms an O-H?N hydrogen bond to a cyclam N atom. The mean-square-plane passing through the 14-membered ring is approximately coplanar with the naphthalene fused-ring [dihedral angle = 6.6?(1)°].

SUBMITTER: Choi JH

PROVIDER: S-EPMC3254450 | biostudies-literature | 2012 Jan

REPOSITORIES: biostudies-literature

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3,14-Dimethyl-2,6,13,17-tetra-aza-tricyclo-[16.4.0.0]docosa-ne-(naphthalen-1-yl)methanol (1/2).

Choi Jong-Ha JH Subhan Md Abdus MA Ryoo Keon Sang KS Ng Seik Weng SW

Acta crystallographica. Section E, Structure reports online 20111214 Pt 1

In the title co-crystal, C(20)H(40)N(4)·2C(11)H(10)O, the macrocycle is generated by a crystallographic inversion centre. The N atoms show a pyramidal coordination, and the cyclo-hexane ring that is fused to the 14-membered C(10)N(4) ring exists in a chair conformation, whereas the methyl substituent occupies an axial site. The (naphthalen-1-yl)methanol mol-ecule forms an O-H⋯N hydrogen bond to a cyclam N atom. The mean-square-plane passing through the 14-membered ring is approximately coplanar ...[more]

PMID: 22259389

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