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X-ray diffuse scattering from HTMA: analysis via a Monte Carlo model

Goossens, Darren; Heerdegen, Aidan; Welberry, Thomas


Hexamethylenetetramine (HMT, C6H12N4, also referred to as urotropin) and azelaic acid [A, HOOC - (CH2) 7 - COOH] form a co-crystal or adduct (HMTA, also referred to as urotropin azelate) which exhibits several structural phases as a function of temperature. At room temperature, the structure is orthorhombic, but shows substantial disorder. Here, this disorder is explored by analyzing the diffuse scattering from single crystals of HMTA via Monte Carlo simulation. The disorder is in part...[Show more]

CollectionsANU Research Publications
Date published: 2008
Type: Journal article
Source: Acta Crystallographica Section B: Structural Science
DOI: 10.1107/S0108768108010604


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