title: Infinite ladder-like chains organized into a three-dimensional zigzag supramolecular architecture in 9-deazahypoxanthine.
abstract: The asymmetric unit of the title compound, C(6)H(5)N(3)O, consists of discrete molecules of 9-deazahypoxanthine [systematic name: 3H-pyrrolo[3,2-d]pyrimidin-4(5H)-one]. The structure displays N-H···O hydrogen bonding, connecting the molecules into centrosymmetric dimers. These dimers are then connected by N-H···N hydrogen bonds into a ladder-like chain along the c axis. The secondary structure is stabilized by weak noncovalent contacts of the C-H···O and C-H···C types, as well as by π-π stacking interactions, which organize the structure into a zigzag architecture.
authors: Regional Centre of Advanced Technologies and Materials, Department of Inorganic Chemistry, Faculty of Science, Palacký University, 17. listopadu 12, CZ-771 46 Olomouc, Czech Republic.
authors: Radka
authors: R
authors: Novotná
authors: Zdeněk
authors: Z
authors: Trávníček
mesh_terms: D018360:Crystallography, X-Ray; D006860:Hydrogen Bonding; D007042:Hypoxanthines / Q000737:chemistry*; D015394:Molecular Structure
chemical_list: C580787:9-deazahypoxanthine; D007042:Hypoxanthines