TY - JOUR
T1 - Solid phase conformational analysis of a 13-membered heterocycle: 8,13-Dioxo-1,4,7-trioxacyclotridecane (diethylene glycol cyclic adipate)
AU - Moreno-Mañas, Marcial
AU - Roglans, Anna
AU - Pinieila, Joan F.
AU - Alvarez-Larena, Angel
PY - 1992/1/1
Y1 - 1992/1/1
N2 - The crystal structure of the title compound (C10H16O5) has been determined by X-ray diffraction methods in order to ascertain the preferred conformation. Crystals are monoclinic, space group P21/c (No. 14) with a = 8.020(2), b = 16.188(1), c = 8.559(1) Å, β = 99.87(1), V = 1094.7(3) Å Z = 4, D = 1.312 g · cm, λ(MoKα) = 0.71069 Å, μ = 0.9 cm−1, F(000) = 432, T= 293 K. The final R was 0.045 for 1026 observed reflections. The conformation is of the [13333] type with corners at C2, C3, C6, C9 and C12. Both ester groups are in syn conformation. © by R. Oldenbourg Verlag, München 1992
AB - The crystal structure of the title compound (C10H16O5) has been determined by X-ray diffraction methods in order to ascertain the preferred conformation. Crystals are monoclinic, space group P21/c (No. 14) with a = 8.020(2), b = 16.188(1), c = 8.559(1) Å, β = 99.87(1), V = 1094.7(3) Å Z = 4, D = 1.312 g · cm, λ(MoKα) = 0.71069 Å, μ = 0.9 cm−1, F(000) = 432, T= 293 K. The final R was 0.045 for 1026 observed reflections. The conformation is of the [13333] type with corners at C2, C3, C6, C9 and C12. Both ester groups are in syn conformation. © by R. Oldenbourg Verlag, München 1992
KW - 13-Membered ring
KW - Conformational analysis
KW - Crystal and molecular structure
KW - Diethylene glycol cyclic adipate
UR - https://www.scopus.com/pages/publications/84942221014
U2 - 10.1524/zkri.1992.202.1-2.109
DO - 10.1524/zkri.1992.202.1-2.109
M3 - Article
SN - 1433-7266
VL - 202
SP - 109
EP - 114
JO - Zeitschrift fur Kristallographie - New Crystal Structures
JF - Zeitschrift fur Kristallographie - New Crystal Structures
IS - 1-2
ER -