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211.
The compound N-(phenethylcarbamothioyl)cyclopent-1-enecarboxamide was synthesized by the reaction of cyclopent-1-enecarbonyl isothiocyanate with phenethylamine in acetone, and its structure was characterized by IR, 1H NMR and X-ray crystal structure determination. The crystal of the title compound belongs to triclinic, space group P1 with a = 6.9500(7), b = 9.4618(9), c = 11.3256(11), α = 71.522(9), β = 81.830(8), γ = 89.237(8)o, Z = 2, V = 698.80(12)3, Dc = 1.304 g/cm3, μ = 0.225 mm-1, F(000) = 292, R = 0.0413 and wR = 0.1073 for 1996 observed reflections with I 2σ(I). Intramolecular N(2)–H(2)···O(1) interactions as well as intermolecular N(2)–H(2)···O(1), N(1)–H(1)···S(1) and C(12)–H(12)···S(1) hydrogen bonds help to stabilize the crystal structure. X-ray diffraction analysis reveals that the structure of the new compound exhibits a one-dimensional infinite chain-like structure. The cytotoxicity of the compound was investigated by MTT assay. The results show that the compound is toxic to A549 tumor cell. 相似文献
212.
《化学分析计量》2014,(4):7
<正>1报道范围分析测试技术,计量行业的法规、政策、标准,标准物质的研制及应用,分析、计量仪器的新产品、新技术、新方法,仪器检定、使用、维修经验,相关专业管理技术、文献综述、专题讲座、专题评论、发展动态及相关信息等。2投稿要求(1)文章重点突出,条理清楚,语句通顺,文字简练,数据可靠,结论恰当,避免重复、繁琐,不用口语、俗语等。全文包括图表在内字数一般在5 000~10 000字为宜。(2)题名应准确、简洁、鲜明,一般不超过20个汉字。作者单位包括全称、所在地、邮编。若作者出自多个单位,应按作者标注的顺序分别列出,在各自单位名称前加"1."",2."",3."。 相似文献
213.
The title compound has been synthesized by the reaction of 1-bromo-3,3-dime- thyl-1- (1H-1,2,4-triazol-1-yl)butan-2-one with 1-(2-fluorophenyl)thiourea, and its crystal structure was determined by single-crystal X-ray diffraction. The crystal belongs to the orthorhombic system, space group Pbca with a=15.2568(6), b=12.1533(5), c=16.7307(7) , Z=8, V=3102.2(2)3, Mr=317.39, Dc=1.359 g/cm3, S=1.05, μ=0.223 mm-1, F(000)=1328, the final R=0.034 and wR=0.097 for 2590 observed reflections (I>2σ(I)). X-ray crystal structure presents the intramolecular N-H…N hydrogen bond, which plays an important role in stabilizing the crystal structure. In addition, the preliminary biological test on the title compound shows good antitumor activity, with IC50 of 0.122 μmol/mL against the Hela cell line. 相似文献
214.
The title compound,(E)-5-methoxy-2-((4-methoxyphenylimino)methyl)phenol(C15H15NO3),crystallizes in monoclinic,space group P21/c with a=9.4361(6),b=10.6212(5),c=12.9338(9),β=93.064(5)o,V=1294.41(14)3,Z=4,Dc=1.320 g/cm3,F(000)=544,Rint=0.116,T=296 K,μ=0.09 mm-1,the final R=0.051 and wR=0.148 for 1836 observed reflections with I2σ(I).An extensive two-dimensional network of C-H…O hydrogen bonds and π-ring interactions are responsible for the crystal stabilization.Intermolecular hydrogen bonds and C-H…π interactions produce R22(14),R44(30) and R44(31) rings.In addition to the molecular geometry from X-ray experiment,the molecular geometry of the title compound in the ground state has been calculated using the semi-empirical(AM1 and PM3) and density functional theory method(DFT)(B3LYP) with 6-31G(d) basis set.To determine the conformational flexibility,molecular energy profile of the title compound was obtained by semi-empirical(PM3 and AM1) and DFT/B3LYP calculations with respect to the selected degree of torsional freedom,which varied from -180° to +180° in a step of 10°. 相似文献
215.
The title compounds, [Co(H2O)6](OVA)2·2H2O 1, [Ni(H2O)6](OVA)2·2H2O 2 and [Zn(OVA)2·2H2O] 3 (HOVA = o-vanillic acid = 2-hydroxy-3-methoxybenzoate), were synthesized and characterized by single-crystal X-ray diffraction, elemental analysis, IR and TGA. Compounds 1 and 2 are both of triclinic with space group P1. The metal atom coordinated by six water molecules displays a slightly distorted octahedral configuration. Interestingly, the carboxyl group from HOVA ligand does not coordinate to the metal atom. Correspondingly, compound 3 belongs to the monoclinic system, space group C2/c. Each zinc(Ⅱ) atom exhibits a distorted four-coordinated tetrahedral geometry. Two monodentate carboxyl groups link one zinc(Ⅱ) atom to form a mononuclear molecule. The structure feature is different from that of compounds 1 and 2, which could be attributed to the different coordinated numbers and radii of Co(Ⅱ), Ni(Ⅱ) and Zn(Ⅱ) atoms. 相似文献
216.
The title compounds,C9H13ClN6O2S 1 and C15H17ClN6O2S 2,were synthesized and structurally characterized by elemental analysis,IR,1H NMR spectra and single-crystal X-ray diffraction.Compound 1 is in the monoclinic system,space group P21/c with a=13.7711(5),b=10.3883(4),c=9.7623(2),V=1344.47(8)3,Dc=1.506 g/cm3,C9H13ClN6O2S,Mr=304.76,F(000)=632,μ=0.448 mm-1,Z=4,S=1.084,R=0.0497 and wR=0.1328 for 2640 unique reflections(Rint=0.0787) with 2089 observed ones(I2σ(I)).Compound 2 belongs to the monoclinic system,space group P21/n with a=8.3828(5),b=14.5285(7),c=14.2456(4),V=1729.74(14)3,Dc=1.462 g/cm3,C15H17ClN6O2S,Mr=380.86,F(000)=792,μ=0.364 mm-1,Z=4,S=1.057,R=0.0598 and wR=0.1582 for 3384 unique reflections(Rint=0.0469) with 2833 observed ones(I2σ(I)).Compounds 1 and 2 are homologues and stabilized by intermolecular and intramolecular hydrogen bonds.Moreover,compound 2 containing C(2)-H(2)…π(thiazole) interaction is more stable than 1. 相似文献
217.
The title compounds(PySe)2 1(HPySe=2-pyridineselenol N-oxide,(PySe)2= bis(2-pyridine-N-oxide) diselenide) and Bi2(PySe)6 2 were prepared by the reaction of 2-bromine-N-oxide with NaHSe and Bi(NO3)3·5H2O with HPySe,and the crystal structure of 2 was studied.Compound 2 crystallizes in the monoclinic space group P21/n with a=9.840(2),b=10.204(2),c=18.395(2),β=102.926(2)°,V=1800.0(5)3,Dc=2.2687 g/cm3,Z=2,the final R=0.0319 and wR=0.0646.The Bi atoms are coordinated by four selenium and four oxygen atoms from four PySe ligands to form a slightly distorted four-column geometry. 相似文献