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The crystal structure of 5‐amino‐6‐chloro‐4‐nitro‐2‐(β‐D‐ribofuranosyl)‐2 H ‐pyridazin‐3‐one
Author(s) -
Castle Raymond N.,
Thompson Robert Douglas,
Dalley N. Kent,
Simonsen Stanley H.,
Larson Steven B.
Publication year - 1981
Publication title -
journal of heterocyclic chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.321
H-Index - 59
eISSN - 1943-5193
pISSN - 0022-152X
DOI - 10.1002/jhet.5570180813
Subject(s) - chemistry , intramolecular force , hydrogen bond , crystal structure , intermolecular force , nitro , dihedral angle , glycosyl , stereochemistry , nucleoside , crystallography , molecule , computational chemistry , organic chemistry , alkyl
The nucleoside, 5‐amino‐6‐chloro‐4‐nitro‐2‐β‐D‐ribofuranosyl‐2 H ‐pyridazin‐3‐one ( 4 ), was synthesized as part of a study to prepare potential chemotherapeutic compounds. An X‐ray crystal structure study of the compound was initiated in order to substantiate its formula and to examine its conformation and absolute configuration. The structure was determined using direct methods and refined to an R of 0.020 (R w = 0.024). The compound has a glycosyl torsion angle of 71.2°. The structure contains three intermolecular hydrogen bonds and one intramolecular hydrogen bond.