Crystal structure of the anticancer drug carmustine determined by X-ray powder diffraction

被引：4

作者：

Schlesinger, Carina ^{[1
]}

Alig, Edith ^{[1
]}

Schmidt, Martin U. ^{[1
]}

机构：

[1] Goethe Univ, Inst Inorgan & Analyt Chem, Max von Laue Str 7, D-60438 Frankfurt, Germany

来源：

POWDER DIFFRACTION | 2021年 / 36卷 / 03期

关键词：

structure determination from powder data (SDPD); X-ray powder diffraction; carmustine; Rietveld refinement;

D O I：

10.1017/S0885715621000294

中图分类号：

TB3 [工程材料学];

学科分类号：

0805 ; 080502 ;

摘要：

The structure of the anticancer drug carmustine (1,3-bis(2-chloroethyl)-1-nitrosourea, C5H9Cl2N3O2) was successfully determined from laboratory X-ray powder diffraction data recorded at 278 K and at 153 K. Carmustine crystallizes in the orthorhombic space group P2(1)2(1)2(1) with Z = 4. The lattice parameters are a = 19.6935(2) angstrom, b = 9.8338(14) angstrom, c = 4.63542(6) angstrom, V = 897.71(2) angstrom(3) at 153 K, and a = 19.8522(2) angstrom, b = 9.8843(15) angstrom, c = 4.69793(6) angstrom, V = 921.85(2) angstrom(3) at 278 K. The Rietveld fits are very good, with low R-values and smooth difference curves of calculated and experimental powder data. The molecules form a one-dimensional hydrogen bond pattern. At room temperature, the investigated commercial sample of carmustine was amorphous.

引用

页码：148 / 150

页数：3

共 50 条

[21] The crystal structure of ZSM-10, a powder X-ray and electron diffraction study
Dorset, Douglas L.
ZEITSCHRIFT FUR KRISTALLOGRAPHIE, 2006, 221 (04): : 260 - 265
[22] Crystal structure refinement of A-type carbonate apatite by X-ray powder diffraction
Toru Tonegawa
Toshiyuki Ikoma
Tomohiko Yoshioka
Nobutaka Hanagata
Junzo Tanaka
Journal of Materials Science, 2010, 45 : 2419 - 2426
[23] Crystal structure determination of thymoquinone by high-resolution X-ray powder diffraction
Pagola, S
Benavente, A
Raschi, A
Romano, E
Molina, MAA
Stephens, PW
AAPS PHARMSCITECH, 2004, 5 (02):
[24] X-ray powder diffraction data for schisanhenol
Zhang, Li Li
Xiao, Dan
Lin, Xia
Luo, Wei
Li, Si
Li, Hui
POWDER DIFFRACTION, 2014, 29 (01) : 48 - 50
[25] Crystal structure refinement of the ternary compound Cu2SnTe3 by X-ray powder diffraction
Delgado, G. E.
Mora, A. J.
Marcano, G.
Rincon, C.
CRYSTAL RESEARCH AND TECHNOLOGY, 2008, 43 (04) : 433 - 437
[26] Thermal expansion of CaIrO3 determined by X-ray powder diffraction
Lindsay-Scott, Alex
Wood, Ian G.
Dobson, David P.
PHYSICS OF THE EARTH AND PLANETARY INTERIORS, 2007, 162 (1-2) : 140 - 148
[27] Crystal structure and morphology of disordered AlNbO4 from X-ray powder diffraction
Greis, O
Ziel, R
Garcia, DE
Claussen, N
Breidenstein, B
Haase, A
EUROPEAN POWDER DIFFRACTION: EPDIC IV, PTS 1 AND 2, 1996, 228 : 825 - 830
[28] Crystal structure of the ternary semiconductor Cu2In14/3□4/3Se8 determined by X-ray powder diffraction data
Delgado, Gerzon E.
Manfredy, Luigi
Lopez-Rivera, S. A.
POWDER DIFFRACTION, 2018, 33 (03) : 237 - 241
[29] Routine crystal structure determination from laboratory X-ray powder diffraction data.
Xu, Xuelian
Florence, Alastair
Shankland, Norman
Shankland, Kenneth
David, William I. F.
Kennedy, Alan R.
ACTA CRYSTALLOGRAPHICA A-FOUNDATION AND ADVANCES, 2004, 60 : S235 - S235
[30] Structure determination of modulated structures by powder X-ray diffraction and electron diffraction
Zhou, Zhengyang
Palatinus, Lukas
Sun, Junliang
INORGANIC CHEMISTRY FRONTIERS, 2016, 3 (11): : 1351 - 1362

← 1 2 3 4 5 →