Publications by authors named "Marijan Stefinovic"

The title compound, 2,6-di-amino-5-[(2-cyclo-propyl-7,8-dimeth-oxy--1-benzo-pyran-5-yl)meth-yl]pyrimidin-1-ium methane-sulfonate, CHNO ·CHOS, is a salt made up from a protonated iclaprim mol-ecule and a mesylate anion. The pyrimidine and chromene units of the iclaprim mol-ecule form an orthogonal arrangement [inter-planar angle of 89.67 (6)°], and the 3-nitro-gen position of the pyrimidine ring is protonated.

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In the title structure, 5-fluoro-3-phenyl-2-[(1)-1-(9-purin-6-yl-amino)-prop-yl]quinazolin-4(3)-one (= idelalisib) -butanol monosolvate dihydrate, CHFNO·CHO·2HO, the idelalisib mol-ecule displays planar quinazoline and purine systems which are nearly perpendicular to one another. Seven distinct hydrogen-bonding inter-actions link the idelalisib, -BuOH and water mol-ecules into a complex chain structure with the topology of a 2,3,4,5-connected 4-nodal net having the point symbol (3.4.

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In the salt (5α,6α)-6-[(2,5,8,11,14,17,20-hepta-oxadocosan-22-yl)-oxy]-3,14-dihy-droxy-17-(prop-2-en-1-yl)-4,5-ep-oxy-morphinan-17-ium hydrogen oxalate, CHNO·CHO the polyether unit of the naloxegol cation adopts the shape of a squashed open letter 'O'. In the crystal, the hydrogen oxalate anions are linked into a chain by O-H⋯O hydrogen bonds. Each naloxegol unit is hydrogen bonded to three hydrogen oxalate ions two O-H⋯O and one N-H⋯O inter-actions.

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Article Synopsis
  • The sotagliflozin molecule exists in two different forms: one as a pure crystal (form 1) and the other as a monohydrate (form 2) that includes water.
  • Both forms feature layers held together by hydrogen bonds, which involve three hydroxyl (-OH) groups in their structure.
  • The molecular interactions in these layers differ, with the non-hydrogen-bonded interactions in both forms having higher energy compared to the hydrogen-bonded pairs, and each layer has a different geometric arrangement or topology.
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Quality assurance and process understanding are assuming increasing importance in the production of Active Pharmaceutical Ingredients (APIs). NMR has the potential to report on physical processes, quantities, structures, and speciation as chemical reactions progress. Following the progression of chemical reactions by placing the sample in an NMR tube, one can perform a large number of useful studies that provide chemical and mechanistic insight.

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