Three new [<i>X</i>C(O)NH]P(O)[N(CH~2~C~6~H~5~)~2~]~2~ phosphoric triamides (<i>X</i> = CClF~2~, 3-F-C~6~H~4~ and 3,5-F~2~-C~6~H~3~): a database analysis of tertiary N-atom geometry in compounds with a C(O)NHP(O)[N]~2~ core
Authors of publication
Pourayoubi, Mehrdad; Jasinski, Jerry P.; Shoghpour Bayraq, Samad; Eshghi, Hossein; Keeley, Amanda C.; Bruno, Giuseppe; Amiri Rudbari, Hadi
Journal of publication
Acta Crystallographica Section C
Year of publication
2012
Journal volume
68
Journal issue
10
Pages of publication
o399 - o404
a
10.0173 ± 0.001 Å
b
11.2362 ± 0.0008 Å
c
14.5992 ± 0.0012 Å
α
99.351 ± 0.006°
β
109.96 ± 0.008°
γ
91.135 ± 0.007°
Cell volume
1519 ± 0.2 Å3
Cell temperature
173 ± 2 K
Ambient diffraction temperature
173 ± 2 K
Number of distinct elements
6
Space group number
2
Hermann-Mauguin space group symbol
P -1
Hall space group symbol
-P 1
Residual factor for all reflections
0.0605
Residual factor for significantly intense reflections
0.0481
Weighted residual factors for significantly intense reflections
0.1321
Weighted residual factors for all reflections included in the refinement
0.1433
Goodness-of-fit parameter for all reflections included in the refinement