(R,R)-1-Acetyl-1'-(2,4,6-trinitrophenyl)-2,2'-bipyrrolidine
PBN-AR
Instytucja
Wydział Chemiczny (Politechnika Gdańska)
Informacje podstawowe
Główny język publikacji
ENG
Czasopismo
ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE
ISSN
1600-5368
EISSN
Wydawca
DOI
URL
Rok publikacji
2013
Numer zeszytu
1
Strony od-do
144-145
Numer tomu
69
Identyfikator DOI
Liczba arkuszy
Słowa kluczowe
2,2'-BIPYRROLIDINE DERIVATIVES
AMINES VICINAL
SINGLE-CRYSTAL X-RAY STUDY
Streszczenia
Język
Treść
(R,R)-1-Acetyl-1'-(2,4,6-trinitrophenyl)-2,2'-bipyrrolidine has been synthesized and its rentgenostructure has been determined. The structure of the title molecule, C16H19N5O7, is mainly determined by the steric effect of a bulky 2,4,6-trinitrophenyl group attached to the N atom of a pyrrolidine ring. Both pyrrolidine rings adopt an envelope conformation, with one of the methylene C atoms as the flap in each case, and the N-C-C-N torsion angle along the bond connecting the two pyrrolidine rings is -174.9 (2)°. The benzene ring of the 2,3,5-trinitrophenyl substituent is deformed and the r.m.s. deviation of its six atoms from the best plane is 0.026 Å. The N atoms of the two nitro groups in the ortho positions deviate from the best plane of the benzene ring by -0.033 (5) and 0.385 (5) Å. These groups, as well as the pyrrolidine ring, are twisted relative to the aromatic ring in the same direction, their best planes forming dihedral angles of 30.2 (2), 64.8 (1) and 46.6 (2)°, respectively, with the ring. An intramolecular C-H...O hydrogen bond occurs. In the crystal, there is a short [O...C = 3.019 (4) Å] contact between a nitro O atom and a C atom of the benzene ring bearing the nitro group and a C-H...O interaction between a methyl H atom and another nitro O atom.
Inne
System-identifier
124622