title: A stacked pyrazolo[3,4-d]pyrimidine-based flexible molecule: the effect on stacking of an ethyl group in comparison with a methyl group.
abstract: In the crystal structure of 1,1'-(1,3-propanediyl)bis(5-ethyl-6-methylthio-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-4-one), C(19)H(24)N(8)O(2)S(2), the pairs of pyrazolo[3,4-d]pyrimidine rings of the molecule stack between the heterocyclic rings, due to intramolecular pi-pi interactions. The substituted ethyl and methyl groups are comparable as far as intramolecular stacking is concerned.
authors.affiliation: Medicinal Chemistry Division, Central Drug Research Institute, Lucknow 226 001, India.
authors.forename: K
authors.initials: K
authors.lastname: Avasthi
authors.forename: S
authors.initials: S
authors.lastname: Aswal
authors.forename: P R
authors.initials: PR
authors.lastname: Maulik
mesh_terms: D018360:Crystallography, X-Ray; D006860:Hydrogen Bonding; D008958:Models, Molecular; D008968:Molecular Conformation; D011720:Pyrazoles / Q000737:chemistry*; D011743:Pyrimidines / Q000737:chemistry*
chemical_list: C443741:1,1'-(1,3-propanediyl)bis(5-ethyl-6-methylthio-4,5-dihydro-1H-pyrazolo(3,4-d)pyrimidin-4-one); D011720:Pyrazoles; D011743:Pyrimidines