( S )‐(–)‐1‐Phenylethylaminium 3,5‐dinitrosalicylate | Zendy

Smith Graham | Zendy; Wermuth Urs D. | Zendy; White Jonathan M. | Zendy

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( S )‐(–)‐1‐Phenylethylaminium 3,5‐dinitrosalicylate

Author(s) -

Smith Graham,

Wermuth Urs D.,

White Jonathan M.

Publication year - 2003

Publication title -

acta crystallographica section e

Language(s) - English

Resource type - Journals

ISSN - 1600-5368

DOI - 10.1107/s1600536803024668

Subject(s) - protonation , amine gas treating , chemistry , hydrogen bond , crystal structure , nitro , ion , medicinal chemistry , stereochemistry , crystallography , molecule , organic chemistry , alkyl

The crystal structure of the 1:1 proton‐transfer compound of 3,5‐dinitrosalicylic acid with the optically active amine ( S )‐(−)‐1‐phenylethylamine, viz . ( S )‐(−)‐1‐phenylethylaminium 3,5‐dinitrosalicylate, C 8 H 12 N + ·C 7 H 3 N 2 O 7 − , shows the presence of two pseudo‐centrosymmetrically related and conformationally similar carboxylate anions and two chiral but conformationally different ( S )‐aminium cations in the crystallographic repeat unit. In these cations, the protonated amine‐N atoms have a number of hydrogen‐bonding associations with carboxyl, phenol and nitro O atoms of the acid [N⋯O = 2.824 (4)–3.245 (5) Å]. These, together with peripheral hydrogen‐bonding associations and some weak cation–anion π–π interactions, result in a three‐dimensional network polymer structure.

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