(4Z,6Z,12Z,14Z)-2,10-Dimethyl-2,8,10,16-tetra-hydro-dipyrazolo[3,4-e:3',4'-l][1,2,4,8,9,11]hexa-azacyclo-tetra-decine-4,12-diamine.

ABSTRACT: The title compound, C(12)H(16)N(12), is a centrosymmetric mol-ecule which comprises of a hexa-aza[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 intra-molecular 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 inter-molecular N-H?N inter-actions 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 inter-molecular C-H?N hydrogen bonds formed between pyrazole C-H groups and N atoms of the macrocyclic ring, running in the [10] direction.

SUBMITTER: Dolzhenko AV 

PROVIDER: S-EPMC2969318 | biostudies-literature | 2009 Jun

REPOSITORIES: biostudies-literature