TY - JOUR
T1 - (4Z,6Z,12Z,14Z)-2,10-Dimethyl-2,8,10,16-tetrahydrodipyrazolo-[3,4-e
T2 - 3′,4′-l][1,2,4,8,9,11]hexaazacyclo-tetradecine-4,12-diamine
AU - Dolzhenko, Anton V.
AU - Pastorin, Giorgia
AU - Dolzhenko, Anna V.
AU - Tan, Geok Kheng
AU - Koh, Lip Lin
N1 - Copyright:
Copyright 2009 Elsevier B.V., All rights reserved.
PY - 2009
Y1 - 2009
N2 - The title compound, C12H16N12, is a centrosymmetric molecule 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 S2 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.
AB - The title compound, C12H16N12, is a centrosymmetric molecule 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 S2 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.
UR - http://www.scopus.com/inward/record.url?scp=67650806304&partnerID=8YFLogxK
U2 - 10.1107/S1600536809022132
DO - 10.1107/S1600536809022132
M3 - Article
AN - SCOPUS:67650806304
SN - 1600-5368
VL - 65
SP - 1578
EP - 1579
JO - Acta Crystallographica Section E: Structure Reports Online
JF - Acta Crystallographica Section E: Structure Reports Online
IS - 7
ER -