TY  - JOUR
A1  - Rivera, Augusto
A1  - Osorio, Héctor Jairo
A1  - Uribe, Juan Manuel
A1  - Ríos-Motta, Jaime
A1  - Bolte, Michael
T1  - Crystal structure of the 1,3,6,8-tetra­aza­tri­cyclo[4.3.1.13,8]undecane (TATU)–4-nitro­phenol (1/2) adduct : the role of anomeric effect in the formation of a second hydrogen-bond inter­action
T2  - Acta crystallographica. Section E, Crystallographic communications, 71.2015, S. 1356-1360
N2  - In the title ternary co-crystalline adduct, C7H14N4·2C6H5NO3, mol­ecules are linked by two inter­molecular O—H⋯N hydrogen bonds, forming a tricomponent aggregates in the asymmetric unit. The hydrogen-bond formation to one of the N atoms is enough to induce structural stereoelectronic effects in the normal donor→acceptor direction. In the title adduct, the two independent nitro­phenol mol­ecules are essentially planar, with maximum deviations of 0.0157 (13) and 0.0039 (13) Å. The dihedral angles between the planes of the nitro group and the attached benzene rings are 4.04 (17) and 5.79 (17)°. In the crystal, aggregates are connected by C—H⋯O hydrogen bonds, forming a supra­molecular dimer enclosing an R66(32) ring motif. Additional C—H⋯O inter­molecular hydrogen-bonding inter­actions form a second supra­molecular inversion dimer with an R22(10) motif. These units are linked via C—H⋯O and C—H⋯N hydrogen bonds, forming a three-dimensional network.
KW  - crystal structure
KW  - cocrystalline adducts
KW  - hydrogen bonding
Y1  - 2015
UR  - http://publikationen.ub.uni-frankfurt.de/frontdoor/index/index/docId/39235
UR  - https://nbn-resolving.org/urn:nbn:de:hebis:30:3-392359
SN  - 2056-9890
N1  - This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence http://creativecommons.org/licenses/by/2.0/uk/legalcode , which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
VL  - 71
SP  - 1356
EP  - 1360
PB  - International Union of Crystallography
CY  - Chester
ER  -