Brett, W.a.; Rademacher, P.; Boese, R.:

Structure of N-methyl-N'-phenylurea.

In: Acta Crystallographica, Section C: Crystal Structure Communications (Acta Crystallogr.Sect.C Cryst.Struct.Commun.), Jg. C46 (1990) ; Nr. 5, S. 880-882
ISSN: 0108-2701
Zeitschriftenaufsatz / Fach: Chemie
The title compd. is orthorhombic, space group Pbca, with a 21.8632(9), b 9.2726(5), c 7.7450(7) .ANG.; d. (calcd.) = 1.271 for Z = 8. Final R = 0.052 for 853 reflections. At. coordinates are given. The compd. has a syn-syn conformation with a planar environment for the N atoms. The interplanar angle between the P group and the urea skeleton is .apprx.30 Deg. The crystal structure is stabilized by the formation of intermol. N-H...O hydrogen bonds with an H...O distance of 2.12 .ANG. (mean value) and an N-H...O angle of 156 Deg (mean value).

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