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The crystal structure of the zwitterionic co-crystal of 2,4-di-chloro-6-{[(3-hy-droxy-prop-yl)azaniumyl]-meth-yl}phenolate and 2,4-di-chloro-phenol.


ABSTRACT: The title compound, C10H13Cl2NO2·C6H4Cl2O, was formed from the incomplete Mannich condensation reaction of 3-amino-propan-1-ol, formaldehyde and 2,4-di-chloro-phenol in methanol. This resulted in the formation of a co-crystal of the zwitterionic Mannich base, 2,4-di-chloro-6-{[(3-hy-droxy-prop-yl)azaniumyl]-meth-yl}phenolate and the unreacted 2,4-di-chloro-phenol. The compound crystallizes in the monoclinic crystal system (in space group Cc) and the asymmetric unit contains a mol-ecule each of the 2,4-di-chloro-phenol and 2,4-di-chloro-6-{[(3-hy-droxy-prop-yl)azaniumyl]-meth-yl}phenolate. Examination of the crystal structure shows that the two components are clearly linked together by hydrogen bonds. The packing patterns are most inter-esting along the b and the c axes, where the co-crystal in the unit cell packs in a manner that shows alternating aromatic di-chloro-phenol fragments and polar hydrogen-bonded channels. The 2,4-di-chloro-phenol rings stack on top of one another, and these are held together by ?-? inter-actions. The crystal studied was refined as an inversion twin.

SUBMITTER: Uprety B 

PROVIDER: S-EPMC6775751 | biostudies-literature | 2019 Oct

REPOSITORIES: biostudies-literature

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The crystal structure of the zwitterionic co-crystal of 2,4-di-chloro-6-{[(3-hy-droxy-prop-yl)azaniumyl]-meth-yl}phenolate and 2,4-di-chloro-phenol.

Uprety Bhawna B   Arderne Charmaine C  

Acta crystallographica. Section E, Crystallographic communications 20190910 Pt 10


The title compound, C<sub>10</sub>H<sub>13</sub>Cl<sub>2</sub>NO<sub>2</sub>·C<sub>6</sub>H<sub>4</sub>Cl<sub>2</sub>O, was formed from the incomplete Mannich condensation reaction of 3-amino-propan-1-ol, formaldehyde and 2,4-di-chloro-phenol in methanol. This resulted in the formation of a co-crystal of the zwitterionic Mannich base, 2,4-di-chloro-6-{[(3-hy-droxy-prop-yl)azaniumyl]-meth-yl}phenolate and the unreacted 2,4-di-chloro-phenol. The compound crystallizes in the monoclinic crystal syst  ...[more]

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