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Issue 7, 2020
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Polymorphism of 1,3-X-adamantanes (X = Br, OH, CH3) and the crystal plastic phase formation ability

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Abstract

The polymorphism of 1,3-dimethyladamantane (13DMA), 1,3-adamantanediol (13DOHA) and 1,3-dibromoadamantane (13DBrA) has been studied by X-ray powder diffraction, density measurements and differential scanning calorimetry at normal and high-pressure. 13DMA exhibits a low-temperature ordered monoclinic phase (space group P21/c, Z = 4, Z′ = 1) which transforms at 222.6 ± 0.5 K into a high-temperature hexagonal plastic phase (P63/mmc, Z = 26), stable up to the melting point at 246.8 ± 0.5 K at normal pressure. 13DOHA exhibits a low-temperature hexagonal phase (P63/mcm, Z = 6, Z′ = 0.25) which transforms into a face-centered cubic plastic phase (Fm[3 with combining macron]m). 13DBrA exhibits a unique ordered orthorhombic phase (Pnma, Z = 4, Z′ = 0.5) which remains till the melting point at 382.1 ± 0.5 K. The stability temperature domain of the plastic phases increases with pressure for both 13DMA and 13DOHA. The ability to form the plastic phase for these compounds as well as a series of adamantanes derivatives is analysed through the globularity and asphericity parameters derived from the Hirshfeld surface analysis.

Graphical abstract: Polymorphism of 1,3-X-adamantanes (X = Br, OH, CH3) and the crystal plastic phase formation ability

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Article information


Submitted
02 Dec 2019
Accepted
21 Jan 2020
First published
21 Jan 2020

CrystEngComm, 2020,22, 1230-1238
Article type
Paper

Polymorphism of 1,3-X-adamantanes (X = Br, OH, CH3) and the crystal plastic phase formation ability

P. Negrier, B. Ben Hassine, M. Barrio, M. Romanini, D. Mondieig and J. Tamarit, CrystEngComm, 2020, 22, 1230
DOI: 10.1039/C9CE01910C

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