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Synthesis and crystal structure of 5‐methyl‐5,10‐dihydrophenarsazine
Author(s) -
de Meester Patrice,
Chu Shirley S. C.,
Jovanovic Misa V.,
Biehl Edward R.
Publication year - 1986
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.5570230434
Subject(s) - chemistry , orthorhombic crystal system , ring (chemistry) , crystallography , crystal structure , group (periodic table) , crystal (programming language) , cyclohexane conformation , stereochemistry , molecule , hydrogen bond , organic chemistry , computer science , programming language
The X‐ray crystal structure of 5‐methyl‐5,10‐dihydrophenarsazine, C 13 H 12 NAs, has been determined. The crystals are orthorhombic, space group P2 1 2 1 2 1 , a = 8.511(4), b = 5.690(1), c = 23.535(9) Å, V = 1139.7(1.0)A 3 , and Z = 4. Least‐squares refinement converged to R = 0.049 and Rw = 0.045. The central ring is in a boat conformation and the 5‐methyl group is in the axial position with respect to the central ring. The folding angle between the planes of the two benzo rings is 154.1(4)°.