PMID- 25643710 OWN - NLM STAT- MEDLINE DCOM- 20151002 LR - 20150203 IS - 2052-5206 (Electronic) IS - 2052-5192 (Linking) VI - 71 IP - Pt 1 DP - 2015 Feb TI - The ecstasy and the agony; compression studies of 3,4-methylenedioxymethamphetamine (MDMA). PG - 3-9 LID - 10.1107/S2052520614026389 [doi] AB - MDMA (3,4-methylenedioxymethamphetamine) is a Class A substance that is usually found in a tableted form. It is only observed in one orthorhombic polymorph under ambient conditions. It shows slight positional disorder around the methlyenedioxy ring which persists during compression up to 6.66 GPa. The crystal quality deteriorates above 6.66 GPa where the hydrostatic limit of the pressure-transmitting medium is exceeded. The structure undergoes anisotropic compression with the a-axis compressing the greatest (12% cf. 4 and 10% for the b- and c-axes, respectively). This is due to the pattern of the hydrogen bonding which acts like a spring and allows the compression along this direction. FAU - Connor, Lauren E AU - Connor LE AD - Strathclyde Institute of Pharmacy and Biomedical Sciences, University of Strathclyde, 161 Cathedral Street, Glasgow G4 0RE, Scotland. FAU - Delori, Amit AU - Delori A AD - Strathclyde Institute of Pharmacy and Biomedical Sciences, University of Strathclyde, 161 Cathedral Street, Glasgow G4 0RE, Scotland. FAU - Hutchison, Ian B AU - Hutchison IB AD - Strathclyde Institute of Pharmacy and Biomedical Sciences, University of Strathclyde, 161 Cathedral Street, Glasgow G4 0RE, Scotland. FAU - Nic Daeid, Niamh AU - Nic Daeid N AD - Centre for Anatomy and Human Identification, University of Dundee, College of Life Sciences, Dow Street, Dundee DD1 5EH, Scotland. FAU - Sutcliffe, Oliver B AU - Sutcliffe OB AD - School of Science and the Environment, Manchester Metropolitan University, Chester Street, Manchester M1 5GD, England. FAU - Oswald, Iain D H AU - Oswald ID AD - Strathclyde Institute of Pharmacy and Biomedical Sciences, University of Strathclyde, 161 Cathedral Street, Glasgow G4 0RE, Scotland. LA - eng PT - Journal Article PT - Research Support, Non-U.S. Gov't DEP - 20150120 PL - England TA - Acta Crystallogr B Struct Sci Cryst Eng Mater JT - Acta crystallographica Section B, Structural science, crystal engineering and materials JID - 101609037 RN - 0 (Powders) RN - KE1SEN21RM (N-Methyl-3,4-methylenedioxyamphetamine) SB - IM MH - Crystallography, X-Ray MH - Hydrogen Bonding MH - Models, Molecular MH - Molecular Conformation MH - N-Methyl-3,4-methylenedioxyamphetamine/*chemistry MH - Powders MH - Pressure OTO - NOTNLM OT - MDMA OT - compression OT - ecstasy OT - entactogen EDAT- 2015/02/04 06:00 MHDA- 2015/10/03 06:00 CRDT- 2015/02/04 06:00 PHST- 2014/10/27 00:00 [received] PHST- 2014/12/01 00:00 [accepted] PHST- 2015/02/04 06:00 [entrez] PHST- 2015/02/04 06:00 [pubmed] PHST- 2015/10/03 06:00 [medline] AID - S2052520614026389 [pii] AID - 10.1107/S2052520614026389 [doi] PST - ppublish SO - Acta Crystallogr B Struct Sci Cryst Eng Mater. 2015 Feb;71(Pt 1):3-9. doi: 10.1107/S2052520614026389. Epub 2015 Jan 20.