共查询到20条相似文献,搜索用时 500 毫秒
1.
Peter Baran Raphael G. Raptis Abimael D. Rodríguez Ileana I. Rodríguez Yan-Ping Shi 《Journal of chemical crystallography》2003,33(9):711-718
X-ray structures of Elisabatin B (1) and Elisabatin C (2) have been determined. Crystal data for 1: Triclinic, P
(No. 2), a = 7.528(2) Å, b = 9.404(2) Å, c = 11.414(2) Å, = 75.363(3)°, = 86.668(4)°, = 89.683(4)°, and Z = 2. Crystal data for 2: Monoclinic, P21/c (No. 14), a = 8.242(2) Å, b = 14.870(2) Å, c = 13.060(2) Å, = 101.458(3)°, and Z = 4. Both compounds are highly unsaturated leading to extended aromatic conjugation. They show different intermolecular O–HO hydrogen bonds, via which 1 forms dimers, and 2 zig-zag polymeric chains. 相似文献
2.
Miguel A. Mendez-Rojas Satish G. Bodige William H. Watson 《Journal of chemical crystallography》1999,29(12):1225-1234
The synthesis, structure and properties of four ferrocene derivatives of 2-amino-1,2,3-triazole are reported. Solvatochromism is used as a screening process to assess the potential nonlinear optical behavior of these compounds. In general, this technique involves a number of assumptions, which may not be valid for organometallic complexes. Compound 3 crystallizes in space group P-1 with cell dimensions a = 5.771(2), b = 19.048(5), c = 19.343(5) Å and = 61.104(4), = 88.410(5), = 89.858(5)°; compound 5 crystallizes in space group P21/c with cell dimensions a = 12.545(2), b = 13.308(2), c = 20.513(4) Å and = 104.035(3)°; compound 9 crystallizes in space group P21/n with cell dimensions a = 12.599(4), b = 14.734(4), c = 13.619(5) Å, and = 107.63(2); compound 11 crystallizes in space group P-1 with cell dimensions a = 7.638(3), b = 9.619(4), c = 12.692(5) Å and = 77.588(7), = 78.416(7), = 71.357(7). 相似文献
3.
Tong Ren Steven Radak Yuhua Ni Guolin Xu Chun Lin Kelly L. Shaffer Veronica DeSilva 《Journal of chemical crystallography》2002,32(7):197-203
Crystal structures of four diphenylformamidines bearing phenyl substituents ortho-CH3O (1), ortho-C2H5O (2), meta-CH3O (3), and meta-
n
BuO (4) are reported. In each of the structures, formamidine exists as an unsymmetrical cyclic hydrogen bond dimer, and the geometry of the amidine unit is consistent with the localized C–N and C=N bonds. Interesting conformations due to the orientation of aryl groups were also observed. Crystal Data: 1, orthorhombic, Pbca, a = 11.297(1) Å, b = 15.092(1) Å, c = 16.380(2) Å, V = 2792.6(4) Å3, Z = 8; 2, triclinic, P
, a = 9.651(1) Å, b = 11.974(1) Å, c = 14.583(2) Å, = 101.789(2)°, = 99.320(2)°, = 99.048(2)°, V = 1595.9(3) Å3, Z = 4; 3, orthorhombic, Pbca, a = 15.562(2) Å, b = 8.626(1) Å, c = 20.110(2) Å, V = 2699.4(5) Å3, Z = 8; 4, monoclinic, P21/c, a = 14.525(2) Å, b = 15.534(2) Å, c = 8.818(1) Å, = 93.113(2)°, V = 1986.6(4) Å3, Z = 4. 相似文献
4.
J. Gabriel Garcia Yen-Hsiang Liu Frank R. Fronczek 《Journal of chemical crystallography》1996,26(9):607-613
The crystal structures of two conjugated ene-yne derivatives of thiophene are described, 2,5-di-(trimethylsilylethynyl)-3,4-dibromothiophene (1), is triclinic P
witha=6.3281(4)Å,b=9.7421(6)Å,c=16.3669(9)Å; =80.516(5)°, =84.810(5)°, =74.072(5)°,Z=2,R=0.054; 2,3,4,5-tetra(trimethylsilylethynyl)thiophene (2), is monoclinic, P21/c with a=20.928(2)Å b=5.852(1)Å,c=23.907(2)Å; =100.245(6)°,Z=4,R=0.049. The ethynylic C atoms of both compounds lie near the thiophene plane, with deviations in the range 0.010(3)–0.455(4)Å. The phenyl groups of2 form a dihedral angle of 13.0(4)°. 相似文献
5.
The crystal structures of two amine base salts of dinitramide, the guanidinium 1, and the hydroxyguanidinium 2, have been determined. 1 crystallizes in the triclinic space group
with cell dimensions a = 8.325(2) Å, b = 9.301 (2) Å, c = 9.868(2) Å, = 84.73(3)°, = 69.25(3)°, = 67.55(3)°, while 2 crystallizes in the noncentric monoclinic space group Pc with cell dimensions a = 7.098 (2) Å, b = 3.5160 (10) Å, c = 14.358(3) Å, = 98.940(10)°. The structures of 1 and 2 contain protonated amine cations and dinitramide anions linked by hydrogen bonding. In both structures the conformations adopted by the dinitramine anions can be related to the types of hydrogen bonds it forms with the surrounding amine cations. 相似文献
6.
Subrato Bhattacharya Sudha Singh Vishnu D. Gupta 《Journal of chemical crystallography》2002,32(9):299-305
In an attempt to prepare pentacoordinate chlorobis(-diketonato) gallium(III) and indium(III) complexes only the corresponding tris-products, Ga(PhCOCHCOPh)3 (1), Ga(tBuCOCHCOtBu)3 (1a), and In(PhCOCHCOPh)3 (2), could be isolated. The crystal and molecular structures of 1 and 2 were determined. Both the complexes were found to have triclinc crystal system, with P1 space group. Cell parameters: 1 – a = 9.913(3) Å, b = 10.534(6) Å, c = 18.05(2) Å, = 93.86(5)°, = 94.40(4)°, = 106.58(4)°, V = 1805(2) Å3, z = 2; 2 – a = 10.507(3) Å, b = 11.448(3) Å, c = 16.322(4) Å, = 107.38(2)°, = 97.38(2)°, = 102.23(2)°, V = 1792(1) Å3, z = 2. 相似文献
7.
Jason S. Overby Richard T. Woofter Arnold L. Rheingold Christopher D. Incarvito Roger D. Sommer 《Journal of chemical crystallography》2003,33(5-6):357-364
Three silyl-substituted fluorenes have been prepared by direct synthetic methods and structurally characterized by X-ray diffraction. The three silyl-substituted fluorenes studied were 9-trimethylsilylfluorene (1), 9-(tert-butyldimethyl)silylfluorene (2), and 2,7-di-tert-butyl-9-trimethylsilylfluorene (3). Complex 1 is orthorhombic, P212121, a = 6.2681(14) Å, b = 14.329(3) Å, c = 15.231(4) Å, Z = 4. Complex 2 is monoclinic, P21/c, a = 12.1953(10) Å, b = 6.9977(6) Å, c = 19.6536(17) Å, = 93.818(2), Z = 4. Complex 3 is monoclinic, P21/c, a = 11.9954(9) Å, b = 9.8978(7) Å, c = 18.5464(13) Å, = 92.456(2), Z = 4. The long carbon–silicon bonds effectively remove any significant intramolecular interactions as little distortion is exhibited around the sp
3-carbon atom and the fluorenyl backbone demonstrates near planarity. The bulky silicon substituents also prevent intermolecular interactions, as only a few close contacts less than 4.0 Å exist in all three solid state structures. 相似文献
8.
Susan A. Bourne Katherine L. Gifford Nash Fumio Toda 《Journal of chemical crystallography》1999,29(3):261-271
The structures of the cyclohexanone inclusion compounds of (1) hexakis (3-hydroxy-3, 3-diphenyl-2-propynyl) benzene (H1) (triclinic, P1¯, a = 8.957(4), b = 16.69(1), c = 17.201(4) Å, = 93.82(3), = 97.61(3), and = 93.13(5)°); (2) 1,2,3,5,6,7-hexakis(3-hydroxy-3,3-diphenyl-2-propynyl)naphthalene (H2) (monoclinic, P21/n, a = 9.444(5), b = 18.353(5), c = 31.59(1) Å, and = 92.18(3)°) and (3) tetra(3-hydroxy-3,3-diphenyl-2-propynyl)ethylene (H3) (triclinic, P1¯, a = 14.208(2), b = 14.710(4), c = 17.915(2) Å, = 91.06(1), = 89.98(1), and = 110.60(2)°) have been determined. A second cyclohexanone inclusion compound with H1 with a different host to guest ratio (4: triclinic, P1¯, a = 9.512(2), b = 15.327(3),c = 16.151(3) Å, = 114.89(2), = 95.19(2), and = 102.67(2)°) was obtained from a 50:50 molar solution of cyclohexanone and 1,4-dioxane, which confirms the selectivity of this host for compounds with carbonyl functional groups. The thermal analysis results of all these cyclohexanone inclusion compounds are reported. 相似文献
9.
The structures of the nitrostilbene complexes Z-(4-R–C6H4–CH=CH–C6H4-4-NO2)Cr(CO)3 (R=Me2N,1; H,2; F3C,3), are reported. The copounds were prepared as part of a study of the synthesis of organometallic complexes with potential nonlinear optics applications. For Z-(4-Me2N–C6H4–CH=CH–C6H4-4-NO2)Cr(CO)3,1, triclinic,
,a=7.214 (3) Å,b=7.340 (3) Å,c=17.238 (9)Å, =88.23 (5)°, =88.76 (4)°, =87.66 (3) °,Z=2. For Z-(C6H5–CH=CH–C6H4-4-NO2)Cr(CO)3,2, monoclinic, P21/C,a=12.255 (3) Å,b=9.415 (1) Å,c=13.579 (4) Å, =105.60 (2)°,Z=4. For Z-(4-F3C–C6H4–CH=CH–C6H4-4-NO2)Cr(CO)3,3, triclinic,
,a=7.094 (2) Å,b=8.057 (5) Å,c=17.295 (9) Å, =87.95 (5)° =85.94 (4)°, =64.24 (5)°,Z=2. The structural data show that the Z isomers exhibit bond lengths and angles similar to those observed in the E isomers, but the stilbene fragment is considerably more nonplanar. As a consequence, these molecules are unlikely to behave as NLO materials. 相似文献
10.
1-(4-Chloro-benzoyl)-3-naphthalen-1-yl-thiourea has been synthesized and characterized by elemental analysis, IR spectroscopy, and mass spectrometry. The crystal and molecular structure of the title compound has been determined from single crystal X-ray diffraction data. It crystallizes in the triclinic space group P-1, with a = 6.962(1) Å, b = 10.770(3) Å, c = 11.738(2) Å, = 65.76(2)°, = 80.03(1)°, = 84.86(2)°, and D
calc= 1.432 g cm–1 for Z = 2. The thermal behavior of the compound has been studied by DTA and TG. The antibacterial activities of the title compound were investigated for three Gram (+) and two Gram (–) bacteria by employing broth microdilution method and subsequently, inhibitory activity against yeast-like fungi was also determined. 相似文献
11.
Jan Moncol Marcela Mudra Peter Lonnecke Marian Koman Milan Melnik 《Journal of chemical crystallography》2004,34(7):423-431
The crystal and molecular structures of [Cu(3-PM)4Cl2] (1) and [Cu(4-PM)4Cl]Cl (2) have been determinated by X-ray crystallography. Complex 1 crystallizes in the triclinic system, space group P–1, with lattice parameters a = 7.972(2) Å, b = 8.293(2) Å, c = 10.707(2) Å, = 105.73(3)°, = 90.04(3)°, = 110.38(3)°, and Z = 1 at 100 K. The coordination geometry of each Cu atom is approximately octahedral formed by four nitrogen atoms of pyridine rings of 3-pyridylmethanol molecules in the equatorial plane and two chlorine atoms occupying the axial positions. The O—HsO, C—HsCl, and O—HsCl intermolecular hydrogen bonds and s stacking link the molecules in 3-D hydrogen-bonded coordination network. Complex 2 crystallizes in the tetragonal system, space group P4/n, with lattice parameters a = 10.464(1) Å, c = 11.339(2) Å, and Z = 2 at 217 K and a = 10.352(1) Å, c = 11.201(2) Å, and Z = 2 at 293 K. The coordination geometry of Cu atom in the [Cu(4-PM)4Cl]+ ion is approximately square pyramidal formed by four nitrogen atoms of pyridine rings of 4-pyridylmethanol molecules in equatorial plane and one chlorine atom in axial position. The O—HsCl and C—HsCl intermolecular hydrogen bonds link the molecules in 2-D hydrogen-bonded coordination network. 相似文献
12.
The title compound 1-(1,3-dimethyl-5-chloropyrazol-4-carbonyl)-3-(2-chlorophenyl)-5-amino-4-cyanopyrazole (C16H12Cl2N6O) has been synthesized and characterized by X-ray diffraction: Triclinic, space group P1, with a = 8.6712(8) Å, b = 9.5091(10) Å, c = 11.2170(11) Å = 71.531(2)°, = 84.683(2)°, = 74.099(2)° Z = 2; V = 843.7(14) Å3. C(10), O(1), C(11), and N(2) atoms are coplanar with the average deviation of 0.0071 Å, which form 11.03° and 43.93° dihedral angles with pyrazole planes (I) and (II), respectively. 相似文献
13.
L. Benmenni E. H. Alilou M. Giorgi M. Pierrot M. Réglier 《Journal of chemical crystallography》1994,24(5):345-352
Synthesis and structural determination by X-ray crystallography of three substituted biphenyl structures are reported: (2) is monoclinic P21/n witha=10.805(4),b=8.079(3),c=16.232(6)Å, =100.96(5)°: (4) is monoclinic P21/n witha=9.966(3),b=10.007(3),c=13.053(4) Å, =96.74(5)°; (5) is triclinic
witha=12.033(5),b=16.903(8),c=9.752(4)Å, =94.70(3)°, =112.56(3)° =76.12(3)°. In all compounds the biphenyl has two identical substituents in an ortho position to the center inter-ring bond and present variable inter-ring twist angles. In the process of investigating molecular geometry, we are interested in studying whether the calculated conformations of our molecules can fit the crystallographic structures. 相似文献
14.
Eleonora Freire Sergio Baggio Ricardo Baggio Leopoldo Suescun 《Journal of chemical crystallography》1999,29(7):825-830
The synthesis, characterization and single crystal X-ray structure of three compounds of general formula HgI2R (R = phen[1], dmph [2] and bpy[3]) are presented. The crystal data for the three compounds are: [1], triclinic, space group P
(#2) a = 7.902(2), b = 9.479(2), c = 10.002(2) Å, = 91.45(2), = 111.34(2), = 100.82(2)° [2]: monoclinic, space group C2/c (#15) a = 15.670(3), b = 11.640(2), c = 9.730(2) Å, = 114.57(3)° [3]: triclinic, space group P1¯ (#2) a = 9.472(1), b = 9.507(1), c = 9.023(1) Å, = 98.46(1), = 102.89(1), = 119.62(1)°. Compounds [1] and [2] are monomers, with highly distorted tetrahedral environments around Hg. In [3], instead, there is a significant intermolecular I···Hg interaction leading to the formation of softly bound dimers linking two pentacoordinated cations. The structure is compared with related ones in the literature. 相似文献
15.
1,12-Bis-(N-naphthalamido)-4,9-bis-(2,4,6-trimethylbenzenesulfonyl)-4,9-diaza-dodecane 1 was obtained from 1,8-naphthalic anhydride on successive reactions with 3-aminopropanol, 4-methylbenzenesulfonyl chloride and 1,4-bis-(2,4,6-trimethylbenzenesulfonamido)butane. The molecular structure of 1 was investigated by X-ray crystallography, NMR, and mass spectrometry. The molecule crystallizes in the triclinic space group,
. The cell parameters are a = 8.1548(12), b = 15.878(3), c = 18.005(3) Å, = 97.685(10), = 93.260(15), and = 101.754(11)°. The asymmetric unit consists of the halves of two independent molecules, with Z = 2. 相似文献
16.
Ki-Young Choi 《Journal of chemical crystallography》2002,32(12):537-540
The complex [Ni(L)](PDC) 2H2O (L = 3,14-dimethyl-2,6,13,17-tetraazatricyclo[16,4, 01.18,07.12]docosane; PDC = 3,5-pyrazoledicarboxylate) has been synthesized and characterized by X-ray crystallography. It crystallizes in the monoclinic system P21/c with a = 9.739(4) Å, b = 10.491(3) Å, c = 16.884(3) Å, = 97.17(2)°, V = 1711.5(8) Å3, Z = 4. The coordination environment around the nickel(II) ion exhibits a slightly distorted square-plane with four secondary amines of the macrocycle. The title compound is interconnected to give a two-dimensional network through the hydrogen-bonding interactions. 相似文献
17.
Benzil bis(3,4,5-trimethoxybenzohydrazone) (I) and 3,3-dimethoxybenzil bis(benzohydrazone) (II) were synthesized by condensation, acid catalyzed, of the proper -diketone and the corresponding hydrazide. Compound I crystallizes in the monoclinic system, space group P21/n, with a = 11.464(2), b = 21.098(4), c = 13.837(2) Å, = 109.50(1)° V = 3154.8(9) Å3 and D
c = 1.319 g/cm3 for Z = 4. Compound II crystallizes in the triclinic system, space group P
, with a = 11.106(3), b = 11.728(10), c = 10.656(5) Å, = 91.86(2), = 92.68(3), = 110.00(2)° V = 1301.1(7) Å3 and D
c = 1.293 g/cm3 for Z = 2. 相似文献
18.
Miguel A. Mendez-Rojas Satish G. Bodige Krzysztof Ejsmont William H. Watson 《Journal of chemical crystallography》2001,31(4):217-231
A series of phenyldialkylamine, dimethoxyphenyl, and nitrothiophene derivatives of 2-amino-1,2,3-triazolequinones was characterized by NMR, IR, mass spectroscopy, cyclic voltammetry, and chemical analyses. The solvatochromic procedure was used to evaluate the potential of nine compounds for nonlinear optical applications, and the possible failure of this model is discussed. The crystal structures of seven compounds were determined: (4) P21/c, a = 15.430(3) Å, b = 7.633(2) Å, c = 15.940(3) Å, = 105.19(3)° (5) P21/c, a = 20.201(2) Å, b = 9.6579(9) Å , c = 18.517(2) Å, = 95.907(2)° (6) P-1, a = 7.769(2) Å, b = 8.515(3) Å, c = 17.312(5) Å, = 89.347(7)°, = 83.219(6)°, = 86.001(7)° (7) P-1, a = 8.1365(7) Å, b = 8.9605(8) Å, c = 11.630(1) Å, = 79.553(2)°, = 75.048(2)°, = 82.080(2)° (8) P-1, a = 8.298(3) Å, b = 9.720(3) Å, c = 10.033(3) Å, = 84.803(6)°, = 83.735(6)°, = 77.659(5)° (10) P21/n, a = 8.4300(7) Å, b = 13.980(1) Å, c = 13.975(1) Å, = 106.590(2)° (12) P21/n, a = 7.715(2) Å, b = 14.206(3) Å, c = 12.758(3) Å, = 91.016(5)°. 相似文献
19.
Ray J. Butcher A. Bashir-Hashemi Richard D. Gilardi 《Journal of chemical crystallography》1995,25(10):661-670
The structures of the title compounds, 1,2,4,7-tetra(carboxymethyl)cubane 1 and 1,2,3,5,7-penta(carboxymethyl)cubane2, have been determined.1 crystallized in the space group
with cell dimensionsa=6.098(2),b=10.686(2),c=13.459(2) Å, =69.82(1), =77.01(1), =74.00(1)°, while2 crystallized in the monoclinic space group P21/c with cell dimensionsa=15.139(2),b=12.775(1),c=9.849(2) Å, =107.01(1)°. These molecules were derived from their parent carboxylic acids by esterification with methanol. They are unusual for several reasons. The first is that they both contain substituents on adjacent carbon atoms in the cubane framework. There are only a few reports in the literature of this type of cubane structure. The second molecule is unique in that it has five substituents attached to a cubane moiety. This is the one of the few cubane derivatives with more than four substituents to be structurally characterized and results in a cubane molecule in which there are three faces with three substituents and three faces with only two substituents. 相似文献
20.
Haoguo Zhu Zhi Yu Xiaozeng You Huaiming Hu Xiaoying Huang 《Journal of chemical crystallography》1999,29(2):239-242
The crystal structure of the title compound, Ag(mela)2ClO4 (mela = melamine), has been investigated by X-ray diffraction techniques, the crystals are triclinic, space group P1¯, with a = 5.236(2), b = 7.5385(9) c = 19.063(3) Å, = 99.91(1), = 90.53(2), = 108.32(2)° and Z = 2. The Ag atom has a coordination geometry with two strong bonds (2.162(2) and 2.179(4) Å) to the nitrogen of the melamines and two weak bonds (2.776(4) and 2.785(4) Å) to oxygen atoms of the ClO–
4anions. The N—Ag—N vector is markedly nonlinear (angle at Ag 167.7(2)°). 相似文献