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- W2005289916 abstract "The title compounds, C 24 H 30 N 2 O 3 , (I), and C 24 H 34 N 2 O 3 , (II), both contain an androstane backbone and a 2-methylimidazole-1-carboxylate moiety at the 17-position. Compound (I) contains two symmetry-independent molecules (denoted 1 and 2), while compound (II) contains just one molecule in the asymmetric unit. The C—C—O—C torsion angle that reflects the twisting of the 2-methylimidazole-1-carboxylate moiety from the mean steroid plane is 143.1 (2)° for molecule 1 of (I), 73.1 (3)° for molecule 2 of (I) and 86.63 (17)° for (II). The significance of this study lies in its observation of significant differences in both molecular conformation and supramolecular aggregation between the molecules of the title compounds. The solid-state conformations compared with those obtained theoretically from ab initio methods for the isolated molecules show large differences, especially in the orientation of the methylimidazole substituent." @default.
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- W2005289916 date "2009-02-07" @default.
- W2005289916 modified "2023-09-26" @default.
- W2005289916 title "3-Oxoandrosta-4,6-dien-17β-yl 2-methyl-1<i>H</i>-imidazole-1-carboxylate and 3-oxo-5α-androst-17β-yl 2-methyl-1<i>H</i>-imidazole-1-carboxylate: C—H...π and π–π intermolecular interactions" @default.
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- W2005289916 doi "https://doi.org/10.1107/s0108270109003278" @default.
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