کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
1411634 | 1501868 | 2009 | 8 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
(2-Bromoethyl)trimethylammonium bromide and thiourea: A comparative study of three crystal structures
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
شیمی
شیمی آلی
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چکیده انگلیسی
The crystal structures of the ionic compounds [(CH3)3NCH2CH2Br]Br (1) and [(CH3)3NCH2CH2SC(NH2)2]Br2 (2) as well as the reaction product of 1 with thiourea, [(CH3)3NCH2CH2SC(NH2)2]Br2·4(NH2)2CS (2·4 thiourea) have been determined by single-crystal X-ray diffraction, 273 K for 1 and 2·4 thiourea, 296 K for 2. Crystal data: 1, space group P21, a = 7.207(2) Ã
, b = 8.475(2) Ã
, c = 7.433(2) Ã
, β = 108.56(3)°, Z = 2, R1 = 0.0646 and wR2 = 0.1598; 2, space group P21/c, a = 11.782(1) Ã
, b = 9.365(1) Ã
, c = 11.689(1) Ã
, β = 107.63(1)°, Z = 4, R1 = 0.0249 and wR2 = 0.0527, 2·4 thiourea, space group P1¯, a = 9.309(2) Ã
, b = 9.557(2) Ã
, c = 16.520(3) Ã
, α = 102.20(3)°, β = 100.79(3)°, γ = 104.18(3)°, Z = 2, R1 = 0.0230 and wR2 = 0.0563. In 1, short distances between ions of opposite charge allow for favourable lattice energy; in addition, non-classical C-H···Br interactions and Br···Br contacts occur. In 2, each N-H donor finds an accepting bromide in suitable geometry: N-H···Br bonds account for the most relevant contacts in this solid. 2·4 thiourea represents a tetrathiourea solvate of the previous structure; packing of the constituents is dominated by classical hydrogen bonding involving N-H as donor and S or Brâ as acceptor groups. The compound can be understood as an anionic host lattice of thiourea molecules and bromide anions which accommodates the isothiuronium cations in the resulting channels.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Molecular Structure - Volume 920, Issues 1â3, 28 February 2009, Pages 401-408
Journal: Journal of Molecular Structure - Volume 920, Issues 1â3, 28 February 2009, Pages 401-408
نویسندگان
Yuan Yang, Bing Yin, Qi Li, Ulli Englert,