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- W2306008664 endingPage "3683" @default.
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- W2306008664 abstract "Two new cocrystals of theophylline were prepared by liquid assisted grinding. While compound 1 (theophylline:4-aminosalicylic acid 2:1) was characterized by single crystal X-ray diffraction, the crystal structure of compound 2 (theophylline:4-aminobenzoic acid 1:1) was determined by combining X-ray powder diffraction (XRPD), solid-state NMR and DFT calculations. The use of 1D/2D 1H high-resolution solid-state NMR techniques provided structural insight on local length scales revealing internuclear proximities and relative orientations between the building blocks of compound 2, thus providing information on the type of hydrogen bond synthons formed. DFT calculations were also employed to generate meaningful structures and calculate NMR 1H and 13C chemical shifts to further validate the XRPD model. Compound 2 shows an unusual structure, in which the amino groups do not participate in hydrogen bonds, while compound 1 exhibits an extended hydrogen-bonding network, in which planar subunits can be recognized." @default.
- W2306008664 created "2016-06-24" @default.
- W2306008664 creator A5048249887 @default.
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- W2306008664 creator A5074424152 @default.
- W2306008664 creator A5082653053 @default.
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- W2306008664 date "2015-06-29" @default.
- W2306008664 modified "2023-10-16" @default.
- W2306008664 title "X-ray and NMR Crystallography Studies of Novel Theophylline Cocrystals Prepared by Liquid Assisted Grinding" @default.
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- W2306008664 cites W1673349541 @default.
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- W2306008664 cites W1972639251 @default.
- W2306008664 cites W1978354566 @default.
- W2306008664 cites W1980012955 @default.
- W2306008664 cites W1980478891 @default.
- W2306008664 cites W1981368803 @default.
- W2306008664 cites W1981919095 @default.
- W2306008664 cites W1981924933 @default.
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- W2306008664 doi "https://doi.org/10.1021/acs.cgd.5b00279" @default.
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