Two Polymorphs of 1-(2-Methyl-3-oxoisoindolin-5-yl)urea |
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Authors: | Maya?Tutughamiarso Mirko?Zeiger Email author" target="_blank">Michael?BolteEmail author |
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Institution: | 1.Institut für Organische Chemie und Chemische Biologie,Goethe-Universit?t Frankfurt,Frankfurt am Main,Germany;2.Institut für Anorganische und Analytische Chemie,Goethe-Universit?t Frankfurt,Frankfurt am Main,Germany |
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Abstract: | Abstract 4-Ureidophthalimide or ureido isoindolin-1-one based ligands were shown by NMR spectroscopy and theoretical studies to bind
the CG base pairs in the major groove. To examine this hydrogen-bonded complex, we cocrystallized 5-fluorocytosine, 9-methylguanine
and 1-(2-methyl-3-oxoisoindolin-5-yl)urea. Two polymorphs of the latter compound were obtained during the cocrystallization
attempts. Both crystallized in monoclinic space groups: form Ia in P21/c with cell parameters of a = 11.382(2), b = 6.042(1), c = 14.102(2) ? and β = 96.51(1)°, and form Ib in P21/n with cell parameters of a = 7.092(1), b = 11.643(2), c = 11.580(2) ? and β = 93.48(1)°. An identical molecular conformation of the two polymorphs is observed. Both polymorphs have an R
22(8) N–H···O interaction linking the urea fragments of two molecules to a centrosymmetric dimer. Nevertheless, the crystal
packing for both forms is completely different. In Ia, two dimers are connected by two R
21(6) N–H···O bonds simultaneously to a shifted ribbon motif, whereas in Ib the two R
21(6) interactions link two molecules from two different dimers. |
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