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Abstract Two apigenin alkylation derivatives, 4′,7-dimethoxyl-5-hydroxyflavone (I) and 4′,7-diethoxyl-5-hydroxyflavone (II), have been
synthesized and their crystal structures were determined by 1H NMR and single crystal X-ray diffraction study. (I) is triclinic, space group P−1 with a = 7.120(5) ?, b = 7.297(5) ?, c = 13.559(10) ?, α = 89.313(12)°, β = 86.298(12)°, γ = 83.999(13)° and Z = 2. (II) is monoclinic, space group P 21
/c with a = 16. 309(4) ?, b = 7.303(2) ?, c = 15.185(4) ?, α = 90.00°, β = 115.70(2)°, γ = 90.00° and Z = 4. They have the same flavone skeleton which is composed of a benzopyranone moiety and a phenyl moiety. Molecules of (I)
are linked into a two-dimensional network by a combination of C–H···O hydrogen bond and π–π stacking interactions. (II) shows
some discrepancies with (I) and the molecules are linked into a column by π–π stacking interaction.
Graphical Abstract Two apigenin alkylation derivatives, 4′,7-dimethoxyl-5-hydroxyflavone (I) and 4′,7-diethoxyl-5-hydroxyflavone (II) were synthesized
and their crystal structures were determined by single-crystal X-ray diffraction. Hydrogen bonding and π–π stacking interactions
assemble (I) into a two-dimensional network, and in the crystal structure of (II), π–π stacking interaction leads to the formation
of a column.
相似文献
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Abstract
Reactions of 1,1′-ferrocenedicarboxylic chloride with 2-aminopyrimidine and 2-aminopyrazine produce organometallic dicarboximides I and II, respectively. They crystallize in space groups F dd2 and P21/c, respectively. The molecules of I lying on twofold rotation axes are linked into a B-faced sheet by a C–H···O=C hydrogen bond [H····O = 2.46, C···O = 3.163(7) ? and C–H···O = 132°]. The sheets are linked into a layered structure by two types of weak C–H···O=C hydrogen bonds [H···O = 2.71, C···O = 3.340(8) ? and C–H···O = 126°; H···O = 2.69, C···O = 3.303(10) ? and C–H···O = 124°]. The molecules of II are linked into a centrosymmetric R 22(12) dimer by a C–H···O hydrogen bond [H···O = 2.40, C···O = 3.321(10) ? and C–H···O = 172°]. The dimers are further packed along the a axis by a C–H···O hydrogen bond [H···O = 2.69, C···O = 3.416(9) ? and C–H···O = 135°] to give an [100] double-chain. The double-chain is packed in the [010] direction by a C–H···O=C hydrogen bond [H···O = 2.69, C···O = 3.532(9) ? and C–H···O = 150°]. Further the intermolecular C–H···N hydrogen bond involving the cyclopentadienyl group as a hydrogen-bond donor and pyrazine N atom as an acceptor [H···O = 2.71, C···N = 3.536(10) ? and C–H···N = 148°] leads to a three-dimensional framework structure. 相似文献5.
Abstract
2-Amino-7,4′-dimethoxyisoflavone (I), C17H15NO4 and 2-amino-7-methoxy-4′-hydroxyisoflavone (II), C16H13NO4 were synthesized and their crystal structures were determined by single-crystal X-ray diffraction. They all crystallize in the monoclinic crystal system, space group P21/c. The cell dimensions of I are a = 15.6673(17) ?, b = 7.3998(8) ?, c = 13.2919(14) ?, β = 111.4460(10)°, D c = 1.377 mg/mm3, V = 1,434.3(3) A3, Z = 4 and those of II are a = 10.990(7) ?, b = 11.879(7) ?, c = 10.422(6) ?, β = 96.904(11)°, D c = 1.393 mg/mm3, V = 1,350.8(14) A3, Z = 4. A combination of F-type and T-type aromatic–aromatic interaction and hydrogen bonding links the molecules of I into a tri-dimensional framework structure. In the crystal structure of II, paired tri-centered hydrogen bond generates a R42(21) ring and the R42(21) rings link the molecules into a sheet. 相似文献6.
He-Rui Wen Yun-Zhi Tang Rui-Jin Hong Yan-Hong Peng Xue-Feng Han 《Journal of chemical crystallography》2011,41(12):1800-1806
Abstract
Two new unsymmetrical tetrathiafulvalene-based amidoquinline derivatives of 8-amide quinline of PDT-TTF and BTTF (PDT = propylenedithio, TTF = tetrathiafulvalene, BTTF = benzotetrathiafulavalene) (6, 11) have been synthesized and characterized by 1H NMR, MS, and X-ray crystal structural determination. The crystal structures determination shows that they have completely different solid-state constructs due to the different functional group on the side of tetrathiafulvalene group. The molecules of compound 6 are assembled into 1D helical chain along c-axis via hydrogen bond interactions; these helical chains are further connected by the transverse S⋯S van der Waals interactions, thus, resulting to form a layered architecture. The molecules of compound 11 are assembled into 1D chain along c-axis via hydrogen bond and the S⋯S van der Waals interactions. Structures analysis indicate that compound 6 belong to orthorhombic system, space group P2(1)2(1)2(1), with crystal data a = 6.140(7) ?, b = 12.628(14) ?, c = 23.707(3) ?, V = 1838.0(4) ?3, Z = 4, F(000) = 872, R 1 = 0.0570, wR 2 = 0.0910. Compound 11 belong to triclinic system, space group P-1, with crystal data a = 9.532 (2) ?, b = 10.194(2) ?, c = 10.848(3) ?, α = 79.980(5)°, β = 89.342(4)°, γ = 75.226(5)°, V = 1003.1(4) ?3, Z = 2, F(000) = 492, R 1 = 0.0686, wR 2 = 0.1656. 相似文献7.
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Ali Ramazani Azam Farshadi Amir Mahyari Katarzyna ?lepokura Tadeusz Lis Morteza Rouhani 《Journal of chemical crystallography》2011,41(9):1376-1385
Abstract
Protonation of the highly reactive 1:1 intermediates, produced in the reaction between triphenylphosphine and alkyl acetylenecarboxylates (or dialkyl acetylenedicarboxylates) by theophylline leads to vinyltriphenylphosphonium salts, which undergo Michael addition reaction with conjugate base to produce phosphorus ylides. Silica gel was found to catalyze conversion of the phosphorus ylides to electron-poor N-vinyl imidazoles in solvent-free conditions under thermal (90 °C, 1 h) conditions. The structures of these compounds were confirmed by IR, 1H, and 13C NMR spectroscopy, and single crystal X-ray structure determination. The structural analysis of the products indicated that the reaction is completely regio- and stereoselective. 相似文献10.
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Li Zhang Lang Liu Guan-Cheng Xu Dian-Zeng Jia 《Journal of chemical crystallography》2008,38(11):837-843
Abstract
N-(1,3-Diphenyl-4-benzal-5-pyrazolone)-salicylidene hydrazone(H2L
1
) and its zinc complex Zn(HL
1
)2 · 2CH3OH (1) have been synthesized and characterized by elemental analyses, IR spectra, thermal analyses and single-crystal X-ray diffraction
studies. The X-ray diffraction analyses of the complex Zn(HL
1
)2 · 2CH3OH (1) and the known compound Zn4(L
2
)4 (2) (H2L
2
= N-(1,3-diphenyl-4-phenylethylene-5-pyrazolone)-salicylidene hydrazone) show that different acyl groups in position 4 of pyrazolones
may lead to the different coordination mode of the ligands and distinctive structures of the same central metal Zn(II) complexes,
of which 1 is a mononuclear complex while 2 is a tetranuclear complex. Meanwhile, two Zn(II) complexes have different thermal stabilities and fluorescence properties.
Graphical Abstract
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Huan-Qiu Li Zhu-Ping Xiao Rui-Qin Fang Hai-Liang Zhu 《Journal of chemical crystallography》2008,38(6):461-466
Abstract Metronidazole (MET-OH), widely used as an antibacterial agent, is found to have some side effects on human bodies. Due to
these disadvantages, people have been looking for its modification compounds for substituents. In this article, four MET-OH
derivatives were designed, prepared, and structurally characterized by single crystal X-ray diffraction. These compounds are
MET-OTs (1), MET-Br (2), MET-Cl (3), and MET-I (4). X-ray structure analyses revealed that, 1 crystallized in the monoclinic system with space group P2
1
/c, with a = 16.1178, b = 7.5473, c = 13.4161 ?, V = 1520.3 ?3, β = 111.3210o and Z = 4. 2 crystallized in the monoclinic system with space group P2
1
/c, with a = 12.079, b = 11.089, c = 6.380 ?, V = 847.1 ?3, β = 97.57o and Z = 4. 3 crystallized in the monoclinic system with space group P2
1
/c, with a = 12.098, b = 11.007, c = 6.295 ?, V = 830.3 ?3, β = 97.886o and Z = 4. 4 crystallized in the triclinic system with space group P1, with a = 6.192, b = 7.740, c = 10.001 ?, V = 457.9 ?3, α = 89.073, β = 86.903, γ = 73.097o and Z = 2.
Index Abstract In this article, metronidazole-derived compounds were prepared and structurally characterized by single crystal X-ray diffraction
相似文献
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Xin Hu Yin-Ping Li Yong-Jiang Wang Wei-Jun Du Ji-Xi Guo 《Journal of chemical crystallography》2010,40(10):846-851
Abstract
Two new complexes [Zn(pcn)2(H2O)2] (1) and [Cd(inic)2(H2O)4] (2) (pcn = 2-pyrazinecarboxylate, inic = isonicotinic acid) were synthesized by the hydrothermal reaction and characterized by single crystal X-ray diffraction, elemental analysis, IR spectrum and UV spectrum. In complex 1, the Zn(II) central ion is six-coordinated by two oxygen atoms and two nitrogen atoms from pcn ligands and two oxygen atoms from two coordinated water molecules. In complex 2, the Cd(II) central ion is six-coordinated by two nitrogen atoms from isonicotinate ligands and four oxygen atoms from the coordinated water molecules. Both complexes are mononuclear but hydrogen bonds enrich the structural construction. The visible spectra of the complexes between 200 and 300 nm are assigned to intraligand (IL) π–π* transitions of the pyridyl or pyrazine ligands. 相似文献17.
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Shou-Xin Wang Jie Huang Zhi-Jin Fan Huan Wang Yi-Feng Fu Na Mi Zheng-Cai Zhang Hai-Bin Song Nataliya P. Belskaya Vasiliy A. Bakulev 《Journal of chemical crystallography》2011,41(9):1348-1354