Abacavir methanol 2.5-solvate

Phuong Truc T. Pham

doi:10.1107/S1600536809027743

Abacavir methanol 2.5-solvate

Phuong Truc T. Pham

Penn State Scranton

Research output: Contribution to journal › Article › peer-review

2 Scopus citations

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), C₁₄H ₁₈N₆O·2.5CH₃OH, 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].

Original language	English (US)
Pages (from-to)	o1937
Journal	Acta Crystallographica Section E: Structure Reports Online
Volume	65
Issue number	8
DOIs	https://doi.org/10.1107/S1600536809027743
State	Published - 2009

All Science Journal Classification (ASJC) codes

General Chemistry
General Materials Science
Condensed Matter Physics

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title = "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), C14H 18N6O·2.5CH3OH, 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].",

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AB - 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), C14H 18N6O·2.5CH3OH, 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].

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Abacavir methanol 2.5-solvate

Abstract

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