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6,6'-Dimethyl-2,2'-[1,3-diazinane-1,3-diyl-bis(methyl-ene)]diphenol.


ABSTRACT: In the mol-ecule of the title compound, C(20)H(26)N(2)O(2), the 1,3-diazinane ring adopts a slightly distorted chair conformation and the hy-droxy-benzyl substituents occupy equatorial positions on the N atoms of the heterocyclic ring. There are two intra-molecular O-H?N hydrogen bonds between the N atoms of the 1,3-diazinane ring and the hy-droxy groups of the aromatic rings, with an S(6) set-graph motif. However, the two observed intra-molecular hydrogen-bond distances were different. Considering that both N atoms experience the same chemical environment, it is surprising to see the difference in O?N distances [2.6771?(14) and 2.8123?(12)?Å]. The crystal structure is further stabilized by a C-H?? interaction.

SUBMITTER: Rivera A 

PROVIDER: S-EPMC3295478 | biostudies-literature | 2012 Mar

REPOSITORIES: biostudies-literature

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6,6'-Dimethyl-2,2'-[1,3-diazinane-1,3-diyl-bis(methyl-ene)]diphenol.

Rivera Augusto A   González Derly Marcela DM   Ríos-Motta Jaime J   Fejfarová Karla K   Dušek Michal M  

Acta crystallographica. Section E, Structure reports online 20120217 Pt 3


In the mol-ecule of the title compound, C(20)H(26)N(2)O(2), the 1,3-diazinane ring adopts a slightly distorted chair conformation and the hy-droxy-benzyl substituents occupy equatorial positions on the N atoms of the heterocyclic ring. There are two intra-molecular O-H⋯N hydrogen bonds between the N atoms of the 1,3-diazinane ring and the hy-droxy groups of the aromatic rings, with an S(6) set-graph motif. However, the two observed intra-molecular hydrogen-bond distances were different. Consider  ...[more]

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