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(4Z,6Z,12Z,14Z)-2,10-Dimethyl-2,8,10,16-tetra­hydro­dipyrazolo[3,4-e:3′,4′-l][1,2,4,8,9,11]hexa­azacyclo­tetra­decine-4,12-diamine

The title compound, C(12)H(16)N(12), is a centrosymmetric mol­ecule which comprises of a hexa­aza[14]annulene macrocyclic ring fused with two pyrazole rings. The macrocyclic ring is essentially planar, with an r.m.s. deviation of 0.0381 Å. The electron pairs of the amino groups are delocalized with...

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Detalles Bibliográficos
Autores principales: Dolzhenko, Anton V., Pastorin, Giorgia, Dolzhenko, Anna V., Tan, Geok Kheng, Koh, Lip Lin
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2009
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2969318/
https://www.ncbi.nlm.nih.gov/pubmed/21582855
http://dx.doi.org/10.1107/S1600536809022132
Descripción
Sumario:The title compound, C(12)H(16)N(12), is a centrosymmetric mol­ecule which comprises of a hexa­aza[14]annulene macrocyclic ring fused with two pyrazole rings. The macrocyclic ring is essentially planar, with an r.m.s. deviation of 0.0381 Å. The electron pairs of the amino groups are delocalized with the conjugated system of the macrocycle. Strong intra­molecular N—H⋯N hydrogen bonds arranged in an S (2) (2)(10) graph-set motif are present in the macrocyclic ring. In the crystal, the amino groups act as donors for inter­molecular N—H⋯N inter­actions with the N atoms of the heterocyclic system, forming a network of two types of extended chains oriented parallel to the [101] and [011] directions. The crystal packing is also stabilized by weak inter­molecular C—H⋯N hydrogen bonds formed between pyrazole C—H groups and N atoms of the macrocyclic ring, running in the [10[Image: see text]] direction.