A Possible Infinite Number of Components in a Single Crystalline Phase: On the Isomorphism of Brivaracetam-Guest Molecules

Nicolas Couvrat; Morgane Sanselme; Yohann Cartigny; Frederic De Smet; Sandrine Rome; Luc Aerts; Luc Quéré; Johan Wouters; Gérard Coquerel

doi:10.1021/acs.cgd.8b00331

A Possible Infinite Number of Components in a Single Crystalline Phase: On the Isomorphism of Brivaracetam-Guest Molecules

Nicolas Couvrat, Morgane Sanselme, Yohann Cartigny, Frederic De Smet, Sandrine Rome, Luc Aerts, Luc Quéré, Johan Wouters, Gérard Coquerel

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

Abstract

This article highlights the unusual behavior of brivaracetam (BRV: An active pharmaceutical ingredient against epilepsy), which leads to a unique phase-ranging from clathrate to solvate to cocrystal-formed with an impressive number of apolar guest molecules (any linear alkanes to esters of fatty acids/alcohols, or waxes). Moreover, the investigation of binary systems between linear alkanes and BRV displayed the systematic existence of a syntectic invariant (one solid melts into two nonmiscible liquids) for C_nH_2n+2 with n > 7.

Original language	English
Pages (from-to)	4807-4810
Number of pages	4
Journal	Crystal Growth and Design
Volume	18
Issue number	9
DOIs	https://doi.org/10.1021/acs.cgd.8b00331
Publication status	Published - 5 Sept 2018

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10.1021/acs.cgd.8b00331

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title = "A Possible Infinite Number of Components in a Single Crystalline Phase: On the Isomorphism of Brivaracetam-Guest Molecules",

abstract = "This article highlights the unusual behavior of brivaracetam (BRV: An active pharmaceutical ingredient against epilepsy), which leads to a unique phase-ranging from clathrate to solvate to cocrystal-formed with an impressive number of apolar guest molecules (any linear alkanes to esters of fatty acids/alcohols, or waxes). Moreover, the investigation of binary systems between linear alkanes and BRV displayed the systematic existence of a syntectic invariant (one solid melts into two nonmiscible liquids) for CnH2n+2 with n > 7.",

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AU - Sanselme, Morgane

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AU - De Smet, Frederic

AU - Rome, Sandrine

AU - Aerts, Luc

AU - Quéré, Luc

AU - Wouters, Johan

AU - Coquerel, Gérard

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AB - This article highlights the unusual behavior of brivaracetam (BRV: An active pharmaceutical ingredient against epilepsy), which leads to a unique phase-ranging from clathrate to solvate to cocrystal-formed with an impressive number of apolar guest molecules (any linear alkanes to esters of fatty acids/alcohols, or waxes). Moreover, the investigation of binary systems between linear alkanes and BRV displayed the systematic existence of a syntectic invariant (one solid melts into two nonmiscible liquids) for CnH2n+2 with n > 7.

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A Possible Infinite Number of Components in a Single Crystalline Phase: On the Isomorphism of Brivaracetam-Guest Molecules

Abstract

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High Performance Computing Technology Platform

Physical Chemistry and characterization(PC2)

CCDC 1553038: Experimental Crystal Structure Determination

CCDC 1572555: Experimental Crystal Structure Determination

CCDC 1572556: Experimental Crystal Structure Determination

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A Possible Infinite Number of Components in a Single Crystalline Phase: On the Isomorphism of Brivaracetam-Guest Molecules

Abstract

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Equipment

High Performance Computing Technology Platform

Physical Chemistry and characterization(PC2)

Datasets

CCDC 1553038: Experimental Crystal Structure Determination

CCDC 1572555: Experimental Crystal Structure Determination

CCDC 1572556: Experimental Crystal Structure Determination

Cite this