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

Philippe Négrier (1) , Bacem Ben Hassine , María Barrio (2) , Michela Romanini (3) , Denise Mondieig (4) , Josep-Lluis Tamarit (5)

1 LOMA - Laboratoire Ondes et Matière d'Aquitaine
2 ETSEIB - Departament de Fisica i Enginyeria Nuclear [UPC, Barcelone]
3 UPC - Universitat Politècnica de Catalunya = Université polytechnique de Catalogne [Barcelona]
4 CPMOH - Centre de physique moléculaire optique et hertzienne
5 GCM - Grup de Caracteritzacio de Materials [UPC, Barcelone]

Electronic Supplementary Information (ESI) available: Crystallographic information files (CIF) for monoclinic phase II at 120K of 1,3-dimethyladamantane (13DMA-120K-phaseII.cif, CCDC 1968483; orthorhombic phase I of 1,3-dibromoadamantane at 294 K (13DBrA-294K-phaseI.cif, CCDC 1968495) and hexagonal phase II of 1,3-adamantanediol at 294 K (13DOHA-294K-phaseII.cif, CCDC 1968482). Lattice parameters (Tables S1 to S5) and volume (Figures S1 and S2) as a function of temperature are provided. Hirshfeld surfaces of the compounds here analysed are provided (Figures S3 to S5). See

Domaines: Cristallographie; Matériaux

Philippe Négrier, Bacem Ben Hassine, María Barrio, Michela Romanini, Denise Mondieig, et al.. Polymorphism of 1,3-X-adamantanes (X=Br, OH, CH 3 ) and the crystal plastic phase formation ability. CrystEngComm, In press, ⟨10.1039/C9CE01910C⟩. ⟨hal-02495612⟩