<i>N</i> , <i>N</i> ′-Bis[tris(hydroxymethyl)methyl]propane-1,3-diamine (bis-tris propane)

The title compound, C<sub>11</sub>H<sub>26</sub>N<sub>2</sub>O<sub>6</sub>, used for the preparation of buffer solutions and high-nuclearity coordination complexes, crystallizes with a half mol-ecule in the asymmetric unit. The full mol-ecule is completed through mirror symmetry <i>m</i> in the space group <i>Pnma</i>. The mol-ecular shape is bent and, as a consequence, some H atoms are disordered to avoid too short H⋯H intra-molecular contacts. Mol-ecules in the crystal are linked <i>via</i> O-H⋯N and N-H⋯O hydrogen bonds, forming chains along [100], which are further packed through other O-H⋯O hydrogen bonds between hy-droxy groups. The here-reported structure probably represents the less-stable form in a set of polymorphs.

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IUCrData
Published
2025-11-06
DOI
https://doi.org/10.1107/s241431462500954x
Primary Topic
Crystal structures of chemical compounds
Type
article
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article

N , N ′-Bis[tris(hydroxymethyl)methyl]propane-1,3-diamine (bis-tris propane)

Rosa Elena Arroyo-Carmona, Aarón Pérez-Benı́tez, Sylvain Bernès, Ismael Nieto
IUCrData
Crystal structures of chemical compounds
article

N , N ′-Bis[tris(hydroxymethyl)methyl]propane-1,3-diamine (bis-tris propane)

Rosa Elena Arroyo-Carmona, Aarón Pérez-Benı́tez, Sylvain Bernès, Ismael Nieto
article en

Abstract

The title compound, C<sub>11</sub>H<sub>26</sub>N<sub>2</sub>O<sub>6</sub>, used for the preparation of buffer solutions and high-nuclearity coordination complexes, crystallizes with a half mol-ecule in the asymmetric unit. The full mol-ecule is completed through mirror symmetry <i>m</i> in the space group <i>Pnma</i>. The mol-ecular shape is bent and, as a consequence, some H atoms are disordered to avoid too short H⋯H intra-molecular contacts. Mol-ecules in the crystal are linked <i>via</i> O-H⋯N and N-H⋯O hydrogen bonds, forming chains along [100], which are further packed through other O-H⋯O hydrogen bonds between hy-droxy groups. The here-reported structure probably represents the less-stable form in a set of polymorphs.

IUCrDataVol. 10(11)
Benemérita Universidad Autónoma de Puebla (MX)
Openalex Percentile: Top 72%
Crystal structures of chemical compounds
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