{"database":"biostudies-literature","file_versions":[],"scores":null,"additional":{"omics_type":["Unknown"],"volume":["70(Pt 10)"],"submitter":["Sharma N"],"pubmed_abstract":["In the title mol-ecule, C19H21FN6O4, the dihedral angles between the benzene ring and essentially planar pyrimidine rings [maximum deviations of 0.036 (2) and 0.056 (2) Å] are 73.32 (7) and 63.81 (8)°. The dihedral angle between the mean planes of the pyrimidine rings is 61.43 (6)°. In the crystal, N-H⋯O hydrogen bonds link mol-ecules, forming a two-dimensional network parallel to (001) and in combination with weak C-H⋯O hydrogen bonds, a three-dimensional network is formed. Weak C-H⋯π inter-actions and π-π inter-actions, with a centroid-centroid distance of 3.599 (2) Å are also observed."],"journal":["Acta crystallographica. Section E, Structure reports online"],"pagination":["o1098-9"],"full_dataset_link":["https://www.ebi.ac.uk/biostudies/studies/S-EPMC4257154"],"repository":["biostudies-literature"],"pubmed_title":["Crystal structure of 5,5'-[(4-fluoro-phen-yl)methyl-ene]bis-[6-amino-1,3-di-methyl-pyrimidine-2,4(1H,3H)-dione]."],"pmcid":["PMC4257154"],"pubmed_authors":["Sharma N","Banerjee B","Kant R","Brahmachari G","Gupta VK"],"additional_accession":[]},"is_claimable":false,"name":"Crystal structure of 5,5'-[(4-fluoro-phen-yl)methyl-ene]bis-[6-amino-1,3-di-methyl-pyrimidine-2,4(1H,3H)-dione].","description":"In the title mol-ecule, C19H21FN6O4, the dihedral angles between the benzene ring and essentially planar pyrimidine rings [maximum deviations of 0.036 (2) and 0.056 (2) Å] are 73.32 (7) and 63.81 (8)°. The dihedral angle between the mean planes of the pyrimidine rings is 61.43 (6)°. In the crystal, N-H⋯O hydrogen bonds link mol-ecules, forming a two-dimensional network parallel to (001) and in combination with weak C-H⋯O hydrogen bonds, a three-dimensional network is formed. Weak C-H⋯π inter-actions and π-π inter-actions, with a centroid-centroid distance of 3.599 (2) Å are also observed.","dates":{"release":"2014-01-01T00:00:00Z","publication":"2014 Oct","modification":"2025-04-05T09:46:39.78Z","creation":"2019-03-27T01:41:08Z"},"accession":"S-EPMC4257154","cross_references":{"pubmed":["25484692"],"doi":["10.1107/S1600536814019886"]}}