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The crystal and molecular structure of an unusual 49 heterocycle, 62 2‐thia‐1,3,5‐triaza‐7‐phosphaadamantane 2,2‐dioxide 51
Author(s) -
Delerno J. R.,
Trefonas L. M.,
Majeste R. J.
Publication year - 1976
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.5570130414
Subject(s) - chemistry , crystal structure , crystallography , crystal (programming language) , unit (ring theory) , x ray crystallography , molecule , diffraction , group (periodic table) , stereochemistry , physics , organic chemistry , mathematics , computer science , optics , programming language , mathematics education
The crystal and molecular structure of 2‐thia‐1,3,5‐triaza‐7‐phosphaadamantane 2,2‐dioxide (C 5 H 10 SPO 2 N 3 ) has been determined by single crystal x‐ray diffraction techniques. The compound crystallizes in the space group P2 1 /c with four formula weights per unit cell of dimensions a = 6.129 (1) Å, b = 12.440 (2) Å, c = 14.028 (2) Å, β = 127.31 (1)°. The structure was solved by direct methods and refined to a final value of R = 0.079.