Hydrogen-bonding patterns in a centro-symmetric structure with Z' = 2: alpha, alpha', alpha''-trimethyl-1,3,5-benzenetrimethanol.
The title molecule, C12H18O3, crystallized in the centrosymmetric space group P2(1)/c with two molecules in the asymmetric unit. Each molecule donates three, and accepts three, hydrogen bonds. The Od...Oa distances in these bonds range from 2.687(3) to 2.787(2) A. The hydroxyl H atoms are ordered. A three-dimensional network of hydrogen-bond chains is formed which is 'decorated' with sets of cyclic hydrogen bonds and numerous finite hydrogen-bond patterns. This structure shows both similarities and differences with respect to the structures of the related molecules benzene-1,3,5-triacetic acid and benzene-1,3,5-trimethanol.
Department of Chemistry, Ohio State University, Columbus 43210, USA.
A C
AC
Blackburn
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Gerkin
D001592:Benzyl Alcohols / Q000737:chemistry*; D018360:Crystallography, X-Ray; D006860:Hydrogen Bonding; D015394:Molecular Structure; D013237:Stereoisomerism
D001592:Benzyl Alcohols; C113591:trimethyl-1,3,5-benzenetrimethanol