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Abacavir methanol 2.5-solvate.

ABSTRACT: THE STRUCTURE OF ABACAVIR (SYSTEMATIC NAME: {(1S,4R)-4-[2-amino-6-(cyclo-propyl-amino)-9H-purin-9-yl]cyclo-pent-2-en-1-yl}methanol), C(14)H(18)N(6)O·2.5CH(3)OH, consists of hydrogen-bonded ribbons which are further held together by additional hydrogen bonds involving the hydroxyl group and two N atoms on an adjacent purine. The asymmetric unit also contains 2.5?mol-ecules of methanol solvate which were grossly disordered and were excluded using SQUEEZE subroutine in PLATON [Spek, (2009 ?). Acta Cryst. D65, 148-155].

SUBMITTER: Pham PT

PROVIDER: S-EPMC2977439 | biostudies-literature | 2009 Jul

REPOSITORIES: biostudies-literature

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Abacavir methanol 2.5-solvate.

Pham Phuong-Truc T PT

Acta crystallographica. Section E, Structure reports online 20090722 Pt 8

THE STRUCTURE OF ABACAVIR (SYSTEMATIC NAME: {(1S,4R)-4-[2-amino-6-(cyclo-propyl-amino)-9H-purin-9-yl]cyclo-pent-2-en-1-yl}methanol), C(14)H(18)N(6)O·2.5CH(3)OH, consists of hydrogen-bonded ribbons which are further held together by additional hydrogen bonds involving the hydroxyl group and two N atoms on an adjacent purine. The asymmetric unit also contains 2.5 mol-ecules of methanol solvate which were grossly disordered and were excluded using SQUEEZE subroutine in PLATON [Spek, (2009 ▶). Acta ...[more]

PMID: 21583619

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