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The crystal and molecular structure of 3,7‐dicyano‐3,5,7‐triaza‐1‐phosphabicyclo[3.3.1]nonane
Author(s) -
Trefonas L. M.,
Brown J. N.
Publication year - 1972
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.5570090620
Subject(s) - monoclinic crystal system , chemistry , nonane , ring (chemistry) , bicyclic molecule , crystal structure , diagonal , crystallography , group (periodic table) , crystal (programming language) , block (permutation group theory) , stereochemistry , combinatorics , geometry , mathematics , organic chemistry , computer science , programming language
Abstract The crystal and molecular structure of the title compound has been determined by a single crystal x‐ray diffraction study using counter‐data. The compound crystallizes in the monoclinic space group, P2 1 /c, with a = 8.657 ± .001Å, b = 10.513 ± .001Å, c = 10.378 ± .001Å, β = 99.68 ± .01° for Z = 4. The structure was solved by the symbolic addition procedure and refined by block‐diagonal least‐squares to R = 0.052 for 1479 statistically significant reflections. The geometry of the bicyclic ring system is discussed.