共查询到20条相似文献,搜索用时 15 毫秒
1.
5-O-Benzoyl-1,2-O-isopropylidene-α-D-erythro-ketofuranose-3-ulose-3-aminothiose 3 was synthesized and characterized by spectral analysis, and its crystal structure was determined by X-ray diffraction analysis. The crystal belongs to orthorhombic, space group P212121 with a = 6.6276(13), b = 10.993(2), c = 25.027(5) , β = 90°, V = 1823.4(6)3, Z = 4, C16H20N3O5S, Mr = 366.41, Dc = 1.335 g/cm3, μ = 0.208 mm-1, F(000) = 772, S = 1.007, the final R = 0.0465 and wR = 0.1061 for 3251 observed reflections (I > 2σ(I)). Four hydrogen bonds are observed. The absolute configuration of this molecule was confirmed by comparing with that of the original material. 相似文献
2.
YU Chen-Xia ZHU Xiao-Tong YAO Chang-Sheng TU Shu-Jiang 《结构化学》2007,26(5):533-536
The title compound (C16H14BrNO) has been synthesized by the reaction of p-tolylamine, Meldrum’s acid and 4-bromo-benzaldehyde, and its structure was characterized by IR, 1H NMR and X-ray single-crystal diffraction. The crystal belongs to monoclinic, space group P21/n with a = 7.6850(11), b = 8.3004(11), c = 21.301(3) , β = 95.110(2)°, V = 1353.4(3) 3, Mr = 316.19, Z = 4, Dc = 1.552 g/cm3, μ(MoKα) = 3.028 mm-1, F(000) = 640, the final R = 0.0345 and wR = 0.0768. X-ray analysis reveals that the atoms of C(1), C(2), C(3), C(4), C(5) and N(1) form a six-membered ring of boat conformation. 相似文献
3.
The title compound 2-amino-4-chloro-5-(4-methylbenzyl)-6-methylpyrimidine (C26H28Cl2N6, Mr = 495.44) has been synthesized and its crystal structure was determined by single-crystal X-ray diffraction analysis. The crystal belongs to monoclinic, space group P21/c with a = 14.892(7), b = 6.129(3), c = 14.889(7) , β = 109.795(8)°, V = 1278.7(10) 3, Z = 2, F(000) = 520, Dc = 1.287 g/cm3, μ = 0.280 mm-1, the final R = 0.0577 and wR = 0.1589 for 1357 observed reflections with I > 2σ(I). A total of 6091 reflections were collected, of which 2257 were independent (Rint = 0.033). The X-ray analysis reveals that the chlorine atom and methyl of the title compound are disordered. 相似文献
4.
SUN Yi-Feng ZHANG Dong-Di SONG Hua-Can 《结构化学》2007,26(5):511-514
The title compound (C20H21N3O4, Mr = 367.40) has been synthesized and its crystal structure was determined by single-crystal X-ray diffraction. The crystal is of orthorhombic, space group P212121 with a = 7.5143(15), b = 13.901(3), c = 18.545(4) , V = 1937.1(7) 3, Z = 4, Dc = 1.260 g/cm3, μ = 0.089 mm-1, F(000) = 776, the final R = 0.0616 and wR = 0.0912. X-ray diffraction reveals that the molecule adopts an E configuration about the central C=N double bond. The intermolecular O–H…O hydrogen bond stabilizes the crystal structure by causing the formation of a supramolecular architecture. 相似文献
5.
A new compound of 4,4'-diamino-N,N'-diethyl bisbenzenesulfamide (C18H26N4O4S2,Fw = 426.55) has been synthesized and its structure was determined by X-ray crystallography method. The crystal belongs to the monoclinic system, space group P21/c with a = 10.0623(9), b =13.6759(13), c =15.5309(14) (A),β = 100.482(2)°, V= 2101.6(3)(A)3, Dc = 1.348 g/cm3, F(000) = 904,μ = 0.285 mm-1, Z = 4, the final R = 0.0512 and wR = 0.1363 for 3485 observed reflections with I >2σ(Ⅰ). The structure of the title compound is pseudo secondary axisymmetric, and the two sulfamide-groups show distorted tetrahedral configurations. 相似文献
6.
The title compound (C30H27NO3) was synthesized via a one-pot procedure starting from β-benzoylthioacetanilide, benzaldehyde and 5,5-dimethyl-1,3-cyclohexanedione, and its struc- ture was determined by single-crystal X-ray diffraction analysis. The crystal belongs to triclinic system, space group P, with a = 6.325(2), b = 11.243(3), c = 17.553(4) , α = 87.306(4), β = 80.822(4), γ = 77.798(4)°, V = 1204.2(5) 3, Z = 2, Mr = 449.53, Dc = 1.240 g/cm3, μ = 0.080 mm-1, F(000) = 476, the final R = 0.0459 and wR = 0.0970 for 2301 observed reflections with I > 2σ(I). 相似文献
7.
WANG Jian-Guo XIAO Yong-Jun Li Zheng-Ming SONG Hai-Bin 《结构化学》2007,26(5):501-504
The crystal structure of the title compound (C17H16N4O3S2, Mr = 388.46) has been determined by single-crystal X-ray diffraction. The crystal belongs to monoclinic, space group P21/c with a = 13.688(2), b = 16.704(3), c = 8.3308(12) , β = 99.474(6)o, V = 1878.8(5) 3, Mr = 388.46, Z = 4, Dc = 1.373 g/cm3, μ = 0.308 mm–1, F(000) = 808, R = 0.0389 and wR = 0.0917. X-ray analysis reveals that the crystal structure involves intermolecular N–H…O and N–H…N hydrogen bonds, which link the molecules into a layer parallel to the ac plane. 相似文献
8.
HE Shan WU Bin SHI Hao SUN Cui-Rong② 《结构化学》2007,26(3):299-302
The title compound,(1α,6β,11β,14α)-1,7:6,20-diepoxy-6,11-dihydroxy-6,7-seco-ent-kaur-16-ene-7,15-dione-14-acetate (macrocalyxin J),is a diterpenoid which was isolated from the leaves of Rabdosia macrocalyx and characterized by single-crystal X-ray diffraction. It cry-stallizes in orthorhombic,space group P212121 with a=9.3608(8),b=14.9787(12),c=15.5750(13) ,Z=4,V=2183.8(3) 3,C22H30O9,Mr=438.46,Dc=1.334 g/m3,μ(MoKα)=0.103 mm1,F(000)=936,the final R=0.0532 and wR=0.1262 for 2252 observed reflections (I > 2σ(I)). In the molecule,three six-membered rings adopt chair,boat and slightly distorted boat conformations,respectively,while both five-membered rings have approximate envelope conformations. 相似文献
9.
A MET-OH derivative,MET-OTs 1,was designed,prepared and structurally charac-terized by single-crystal X-ray diffraction. X-ray structure analysis reveals that 1 crystallizes in the monoclinic system,space group P21/c,with a=16.1178(14),b=7.5473(6),c=13.4161(11),V= 1520.3(2)3,β=111.3210(10)o,Z=4,Dc=1.421 g/cm3 and F(000)=680. 相似文献
10.
The title compound 5,5-dimethyl-2-(4-chlorophenyl)(3-hydroxy-5,5-dimethyl-2-cyclohexen-1-one-2-yl)methyl-3-(4-methoxyphenylamino)-2-cyclohexen-1-one has been synthesized,and its crystal structure was characterized by X-ray single-crystal diffraction. The crystal belongs to monoclinic,space group P21/c with a=9.4193(13),b=26.915(4),c=21.188(3),β =101.906(3)°,V =5256.2(13)3,Z =4,C60H68Cl2N2O8,Mr=1016.06,Dc=1.284 g/cm3,F(000)=2160,λ(MoKα)=0.71073,μ=0.182 mm–1,R=0.0530 and wR=0.1131 for 4128 observed reflections (I>2σ(I)). X-ray analysis reveals that there are two independent molecules in the unit and the cyclohexenone rings adopt different conformations. In addition,there are four intramolecular hydrogen bonds in the title molecule. 相似文献
11.
LI Xue-Mei ZENG Cheng-Chu JIAO Zi-Guo YAN Hong ZHONG Ru-Gang 《结构化学》2007,26(6):669-673
The title compound 7-acetamido-5-chloro-8-(p-methyloxybenzenesulfonyloxy)-2- styrylquinoline 4 (C26H21ClN2O5S, Mr = 508.96) has been synthesized and characterized by 1H- NMR, IR, ESI-MS and single-crystal X-ray diffraction techniques. The crystal belongs to orthorhombic, space group Pca21, with a = 7.920(3), b = 10.672(5), c = 28.008(12) , V = 2367.3(17) 3, Z = 4, Dc = 1.425 g/cm3, μ = 0.290 mm-1, F(000) = 1056, R = 0.0323 and wR = 0.0692 for 3895 unique reflections with 3127 observed ones (I > 2σ(I)). X-ray analysis reveals that the styrylquinoline subunit adopts a coplanar conformation, where the benzene ring and quinoline are in trans configuration. 相似文献
12.
ZHAO Fengb LI Ganga② WU Jing-Xiaa ZHANG Zong-Peia a 《结构化学》2007,26(3):291-294
The ferrocenyl compound,N-phenylbis(ferrocenecarboxyl)imide (C28H23NO2Fe2,Mr=517.17),was synthesized and structurally characterized by means of X-ray single-crystal dif-fraction. It crystallizes in monoclinic,space group C2/c with a=21.374(14),b=10.430(7),c= 10.741(7) ,β=114.184(8)°,V=2184(2) 3,Z=4,Dc=1.573 g/cm3,F(000)=1064,μ(MoKα)= 1.355 mm–1,T=291(2) K,the final R=0.0548 and wR=0.1437 for 1524 observed reflections with I > 2σ(I). In this compound,the nitrogen atom links two ferrocenyl groups and one phenyl group forming a novel imido derivative. 相似文献
13.
SONG Zhi-Wei LI Ming-Hai CHENG Chang-Mei CHEN Lang-Qiu GUO Xiao-Qiang WANGRu-Ji WU Guo-Shi ZHAO Yu-Fen 《结构化学》2007,26(12):1476-1480
The title compound N-phenyl-2-deoxy-D-ribopyranosylamine featuring a single conformation and pyranose-ring has been synthesized and characterized by NMR spectrum and X-ray diffraction. X-ray crystal structure analysis shows that its crystal belongs to the monoclinic system, space group P21 with a = 6.5375(9), b = 7.7140(9), c = 10.7865(16) , β = 97.578(11)o, Z = 2, V = 539.22(13) 3, Dc = 1.289 g/cm3 , F(000) = 224, μ(MoKα) = 4.533 mm-1, R = 0.0305 and wR = 0.0639 for 1093 observed reflections (I > 2σ(I)). This compound exists as α-conformation and 1C4 chair-like configuration. 相似文献
14.
A cluster compound, Mo3S4(DTP)3(IN)(Py)·EtOH I (DTP = diethyl dithiophospha- te, IN = isonicotinate) has been rationally synthesized and characterized by single-crystal X-ray diffraction. The crystal belongs to the triclinic system, space group P1 with a = 13.6345(2), b = 13.7805(2), c = 14.5400(1) , α = 107.078(1), β = 113.380(1), γ = 96.310(1)o, C25H45Mo3- N2O9P3S10, Mr = 1218.96, V = 2315.75(5) 3, Z = 2, Dc = 1.748 g/cm3, μ = 1.399, F(000) = 1224, R = 0.0425 and wR = 0.1144 for 6335 observed reflections (I > 2σ(I)). 31P NMR spectrum has been measured with the resonance 110.050 and 108.783 (2:1). 相似文献
15.
The title compound, 1,2-bis-(p-nitro-phenylsulfonamido)-4,5-dinitrobenzene, was synthesized and characterized by elemental analysis, IR and 1H NMR. A pale yellow prism crystal of C23H26N8O13S2 (Mr = 686.64) was obtained in DMF solution and determined by single-crystal X-ray diffraction method. It crystallizes in triclinic system, space group P1 with a = 10.346(4), b = 12.210(5), c = 12.976(5) , α = 108.220(8), β = 99.482(4), γ = 95.490(4)°, V = 1516.7(10) 3, Z = 2, Dc = 1.504 g/cm3, F(000) = 712, μ = 0.254, Mr = 686.64, the final R = 0.0561 and wR = 0.1487. One sulfonamido group of the title compound is deprotoned and forms N(3)=C(13). The crystal involves N,N-dimethylamine from the decomposition of DMF and the proton is transferred to N,N- dimethylamine. It is a strong proof for the characterization of deprotoned recognition compound by X-ray single-crystal structure. 相似文献
16.
The title compound,[Cu2(CH3COO)4(C8H10N2)]n·nCH3CN1 (C8H10N2,4,4'-bipy = 4,4'-bipyridine),has been solvothermally synthesized in CH3CN and characterized by X-ray diffraction.The crystal is of monoclinic,space group Cc with a = 22.626(6),b = 14.012(4),c =15.106(4) (A),β = 107.610(3)°,V = 4565(2) (A)3,C20H23Cu2N3O8,Mr = 560.49,Z = 8,Dc = 1.631 g/cm3,μ = 1.914 mm-1,Flack parameter = 0.48(1),F(000) = 2288,R = 0.042 and wR = 0.)98 for 8887 observed reflections (I > 2σ(I)).It consists of nearly linear one-dimensional chains [Cu2(CH3COO)4(C8H10N2)]n derived from paddle-wheel [Cu2(CH3COO)4] unit linked by 4,4'-bipy,and CH3CN as guest molecule regularly decorates between the chains. 相似文献
17.
The crystal structure of the title compound (C34H47N7O9, Mr = 697.79) has been determined by single-crystal X-ray diffraction. The crystal belongs to monoclinic, space group P21 with a = 9.000(8), b = 11.360(10), c = 17.841(15) , β = 97.083(14)°, V = 1810(3) 3, Z = 2, F(000) = 744, Dc = 1.280 g/cm3, μ = 0.094 mm-1, the final R = 0.0721 and wR = 0.1942 for 2479 observed reflections with I > 2σ(I). The two methyl groups attached to the cyclobutane ring are cis oriented. An intramolecular hydrogen bond (N(6)-H(6)…O(8)) introduces rigidity into the title molecule and the crystal structure is stabilized by intermolecular N-H…O hydrogen bonds. 相似文献
18.
The title complex 1·THF has been synthesized by the reaction of [HO-4,6-di-tBu-C6H2-2-CH2{CH(iprNCHCHN)}]Cl with NdCl3 in a 2:1 molar ratio in THF, and characterized by single-crystal X-ray diffraction. It crystallizes in monoclinic, space group P21/c with a =9.6501(14), b = 16.393(2), c = 36.745(6) (A), β = 97.444(4)°, V = 5763.7(15)(A)3, Mr= 1124.69, Z =4, Dc= 1.296 g/cm3, μ(MoKa) = 1.175 mm-1, F(000) = 2348, the final R = 0.0729 and wR =0.1762 for 8735 observed reflections with I > 2σ(1). Complex 1 consists of an anion [NdCl5(THF)]2- and two cations [HO-4,6-di-tBu-C6H2-2-CH2{CH(iprNCHCHN)}]2 to form a layer structure by the interconnection of anions and cations via hydrogen bonding. The central metal Nd in the anionic unit is coordinated by five Cl atoms and one oxygen atom from solvated THF molecule assuming a distorted octahedral geometry. 相似文献
19.
1 INTRODUCTION Nitroxide radicals including nitronyl nitroxide (NITR) and imino nitroxide (IMR) have been widely used as units in the synthesis of molecule-based magnetic materials, especially as ligands in their complexes with paramagnetic metals[1~11]… 相似文献
20.
The title compound C18H16N4O2S has been synthesized by the reaction of 4-amino-3-(4-ethoxyphenyl)-5-mercapto-1,2,4-triazole with phenoxyacetic acid in phospho- rus oxychloride, and characterized by IR, NMR spectra and elemental analysis. Its structure was determined by single-crystal X-ray diffraction. It crystallizes in monoclinic, space group P21/c with a = 1.4903(3), b = 1.5230(2), c = 0.9615(16) nm, Z = 4, V = 1.7769(5) nm3, Dc = 1.317 g/cm3, μ = 0.201 mm-1, F(000) = 736, R = 0.0795 and wR = 0.2233. In the title compound, all rings are essentially planar. 相似文献