Tris(1H-benzimidazol-2-ylmethyl)amine methanol trisolvate
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2020
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Abstract
The structure of the tertiary amine tris(1H-benzimidazol-2-ylmethyl)amine (C24H21N7, abbreviated ntb) has been previously reported twice as solvates, namely the monohydrate and the acetonitrile–methanol–water (1/0.5/1.5) solvate, both with the tripodal conformation formed via multiple hydrogen bonds. Now, we report the trimethanol adduct, ntb·3CH3OH, where the amine has the stair conformation featuring one benzimidazole group oriented in the opposite direction from the other two. The asymmetric unit contains one-half amine, completed through the mirror plane m in space group Pmn21 to form the ntb molecule, with the H atom for each imidazole moiety equally disordered between both N sites available in the imidazole ring. The asymmetric unit also contains one and a half methanol molecules, one being placed in general position with the hydroxy H atom disordered over two sites with occupancy ratio 1:1, while the other lies on the m mirror plane, and has thus its hydroxy H atom disordered by symmetry. As in the previously reported solvates, all imine and amine groups of the ntb molecules and the methanol molecules are involved in N—H...O and O—H...N hydrogen bonds. In the title compound, however, the involved H atom is systematically a disordered H atom provided by an imidazole group or a methanol molecule.
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anzaldoolivares2020tris1hbenzimidazol2ylmethylamineiucrdata
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| Authors | Anzaldo-Olivares, Bertin;Arroyo, Maribel;Ramírez-Monroy, Armando;Bernès, Sylvain; |
| Journal | iucrdata |
| Year | 2020 |
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