Naslov
Crystal Structure Study of the Novel Methyl- (1S,2R)-1-benzamido-2-/(S)-1,2-dihydroxyethyl/-2- methylcyclopropanecarboxylate

Autori
Cetina, Mario ; Nagl, Ante ; Hergold-Brundić, Antonija ; Mintas, Mladen ; Džolić, Zoran

Vrsta, podvrsta i kategorija rada
Sažeci sa skupova, sažetak, znanstveni

Izvornik
Ninth Slovenian-Croatian Crystallographic Meeting : Book of abstracts and programme / Lah, Nina ; Leban, Ivan - Ljubljana : Slovenian crystallographic society ; Croatian crystallographic association, 2000, 51-51

Skup
Ninth Slovenian-Croatian Crystallographic Meeting

Mjesto i datum
Gozd Martuljek, Slovenija, 15.06.2000. - 17.06.2000

Vrsta sudjelovanja
Predavanje

Vrsta recenzije
Nije recenziran

Ključne riječi
Crystal Structure ; Hydrogen Bond

Sažetak
The title compound was prepared in four steps starting from 1, 2:5, 6-di-O-isopropylidene-D- mannitol and hippuric acid. The crystals were obtained by slow evaporation from water solution. The crystal data were collected using Philips PW1100/Stoe and Cie diffractometer using MoKalpha radiation. Data were corrected for Lorentz and polarisation effects, but not for absorption. The crystal structure was solved using direct methods implemented in SHELXS- 97 and refined on F^2 by SHELXL-97 program. Crystal data: C_15H_19NO_5, Mr = 293.31, monoclinic group P2_1 ; a = 11.078(6), b = 7.570(4), c = 18.544(12) Ĺ, alpha = 90.0, beta = 102.57(6), gama = 90.0^0 ; V = 1517.8(15) Ĺ^3 ; D_x = 1.284 g cm^-3 ; Z = 4 ; F(000) = 624 ; MoK_alpha radiation ; mi = 0.097 mm^-1 ; R = 0.0437 ; R_w = 0.1020 ; 400 parameters, 7226 independent and 2917 reflections with I more or equale 2sigma(I) used in the refinement. In the molecules were observed intramolecular hydrogen bonds of N-H...O type. In the crystal structure molecules were linked in three dimensional network by intermolecular hydrogen bonds of O-H...O type

Izvorni jezik
Engleski

Znanstvena područja
Kemija

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