Crystal structure of idelalisib tert-butanol monosolvate dihydrate.
Acta Crystallogr E Crystallogr Commun
; 75(Pt 3): 414-417, 2019 Mar 01.
Article
en En
| MEDLINE
| ID: mdl-30867961
ABSTRACT
In the title structure, 5-fluoro-3-phenyl-2-[(1S)-1-(9H-purin-6-yl-amino)-prop-yl]quinazolin-4(3H)-one (= idelalisib) tert-butanol monosolvate dihydrate, C22H18FN7O·C4H10O·2H2O, 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, t-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 (3.4.52.62)(3.4.52.64.72)(3.5.6)(5).
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MEDLINE
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En
Revista:
Acta Crystallogr E Crystallogr Commun
Año:
2019
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Article
País de afiliación:
Austria
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ENGLAND
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ESCOCIA
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GB
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GREAT BRITAIN
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INGLATERRA
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REINO UNIDO
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UNITED KINGDOM