Top PDF S,S′ Butane 1,4 diyl bis­­(benzene­carbo­thio­ate)

S,S′ Butane 1,4 diyl bis­­(benzene­carbo­thio­ate)

S,S′ Butane 1,4 diyl bis­­(benzene­carbo­thio­ate)

Geometry . All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes.

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S,S′ (But 2 yne 1,4 diyl)­bis­(L cysteine) monohydrate

S,S′ (But 2 yne 1,4 diyl)­bis­(L cysteine) monohydrate

It is widely known that l-cysteine and its derivatives exhibit remarkable bioactivities, which prompted us to synthesize new compounds containing two or more cysteine groups and investigate the relationships between structure and bioactiv- ities. A few compounds containing two cysteine moieties bridged through their S atoms via different hydrocarbon diyls have been reported (Armstrong & Vigneaud, 1947; Struhar et al., 1975; Hu et al., 1999); however, the crystal structures of these derivatives are rarely studied (Bigoli et al., 1982; Shi et al., 2002). We report herein the crystal structure of a new compound S,S 0 -(but-2-yne-1,4-diyl)bis(l-cysteine) mono-
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trans S,S′ (But 2 ene 1,4 diyl)­bis­(L cysteine) dihydrate

trans S,S′ (But 2 ene 1,4 diyl)­bis­(L cysteine) dihydrate

Geometry . All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes.

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Butane 1,4 diyl bis­­(benzene­carbodi­thio­ate)

Butane 1,4 diyl bis­­(benzene­carbodi­thio­ate)

Geometry . All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes.

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Butane 1,4 diyl bis­­(bromo­acetate)

Butane 1,4 diyl bis­­(bromo­acetate)

shows that only 52 crystal structures containing a total of 57 bromoacetoxy fragments have been reported, and trans (t), gauche (g) and skew (s) conformations have been observed in 21, 21 and 13 fragments, respectively. In the majority of cases, the bromoacetoxy units are either directly linked to aliphatic or aromatic rings or remain in an anionic form. Only six fragments are linked to acyclic C atoms, the trans conforma- tion being the preferred one in three compounds [FASXAV (Uhr et al., 1985), PARASB (Fukuyama et al., 1975) and TLOBDH10 (Harada et al., 1966)]. It must be pointed out that a cis conformation has been found in only two compounds, a fact that contrasts with the trend observed in some halo- genoacetamide fragments [XCH 2 —C( O)NH], where the
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Synthesis and antimicrobial evaluation of metal (II) complexes of a novel bisazo dye 2, 21 [benzene 1, 3 diyl di (E) diazene 2, 1 diyl] bis (4 chloroaniline)

Synthesis and antimicrobial evaluation of metal (II) complexes of a novel bisazo dye 2, 21 [benzene 1, 3 diyl di (E) diazene 2, 1 diyl] bis (4 chloroaniline)

All chemicals solvents used were of analytical grade. All metal (II) salts were used as acetate. UV-VIS spectra were measured on a Perkin Elmer spectrophotometer in 200-800nm range in DMSO. IR spectra were recorded using SHIMADZU FT-IR spectrometer in the range of 400- 4000cm -1 range. 1 H NMR spectra were recorded in DMSO at room temperature. The mass spectrum of the ligand was recorded on Agilent 1200 series LC/MSD VL system. The molecular melting points were determined by open capillary method using electric melting point apparatus and are uncorrected.
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Synthesis, Structure and Antibacterial Activity of 1, 4-bis (1-benzimidazolyl) butane Complexes with some Transition Metal Salts

Synthesis, Structure and Antibacterial Activity of 1, 4-bis (1-benzimidazolyl) butane Complexes with some Transition Metal Salts

More recently, Apohan et al. [10a] reported a series of Co(II) and Zn(II) complexes of 1-(4- substitutedbenzyl)-1H-benzimidazoles. The prepared complexes were investigated against lung cancer cells (A549) and BEAS- 2B, and different microorganisms. Some of the investigated complexes showed promising cytotoxic and antimicrobial activities. Therefore, this work aims to synthesis and characterize of Mn(II), Co(II), Ni(II), Cu(II), Zn(II) and Ag(I) complexes of the ligand 1,4- bis(1-benzimidazolyl) butane.

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1,4 Bis(phenyl­sulfanyl)butane

1,4 Bis(phenyl­sulfanyl)butane

molecules in the asymmetric unit. In each independent molecule, there is a centre of inversion at the mid-point of the central C—C bond. Each molecule, excluding H atoms, is roughly planar and adopts an all-anti conformation. The dihedral angles between the phenyl rings and backbone chain are 19.5 (4) and 17.8 (4) .

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Bis(4 hy­dr­oxy 3 meth­­oxy­benzaldehyde 4 phenyl­thio­semicarbazonato N1,S)nickel(II)

Bis(4 hy­dr­oxy 3 meth­­oxy­benzaldehyde 4 phenyl­thio­semicarbazonato N1,S)nickel(II)

Starting materials were commercially available and were used without further purification. 4-Hydroxy-3-methoxy- benzaldehyde 4-phenylthiosemicarbazone was dissolved in THF (2 mmol/40 ml) with stirring maintained for 30 min, while the solution turns yellow. A solution of nickel acetate tetrahydrate (1 mmol/40 ml) in THF was added under continuous stirring. After 3 h the solvent was removed and the solid redissolved in methanol. Crystals suitable for X-ray diffraction were obtained by the slow evaporation of the solvent.

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(S) 2,2′ Bis(4 nitro 2 pyridyl­­oxy) 1,1′ bi­naphthalene

(S) 2,2′ Bis(4 nitro 2 pyridyl­­oxy) 1,1′ bi­naphthalene

have been used successfully in asymmetric catalysis, molecular recognition and optical materials (Lee & Lin, 2002; Noyori, 2002; Pu, 1998). Their success is due to the fact that the axial chirality of the ligands can be well expressed in the steric environment of the active sites, and the chiral con®guration of BINOL molecules is known to be stable at high temperature over extended periods of time. Thus, BINOL may be used as a preferred starting material or auxiliary for the synthesis of homochiral functional supramolecular complexes. Here we report the synthesis and crystal structure of a homochiral organic ligand, namely (S)-2,2 0 -bis(4-nitro-2-pyridyloxy)-1,1 0 -
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Synthesis of 1,4 Bis (2,4 Dimethoxyphenyl) 2,3 Bis (4 methoxybenzyl) Butane 1,4 Dione

Synthesis of 1,4 Bis (2,4 Dimethoxyphenyl) 2,3 Bis (4 methoxybenzyl) Butane 1,4 Dione

A solution of mannich base 2 (12.5 g, 52.70 mmol) and methyl iodide (11.22 g, 79.05 mmol) in isopropyl acetate (75 mL) was stirred under nitrogen at room temperature for 6 h. The precipitated methiodide salt 3 was removed by filtration and dried in vacuo overnight at room temperature. The methiodide salt 3 was suspended in water (150 mL) and isopropyl acetate (150 mL) and heated under reflux with rapid stirring for 3 h. The mixture was cooled and the pale yellow organic layer was removed. Fresh isopropyl acetate (50 mL) was added, the mixture was once again heated under reflux for 1 h, and the process was repeated once again. The organic extracts were combined, washed with brine, dried over MgSO 4 , and evaporated to afford 4.Off-white solid; m.p. 105-106 o C. Yield: 9.7 g, 96%; IR
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Bis(1,4,7 tri­thia­cyclo­nonane S,S′,S′′)­nickel(II) dibromide tetrahydrate

Bis(1,4,7 tri­thia­cyclo­nonane S,S′,S′′)­nickel(II) dibromide tetrahydrate

The structure was solved by direct methods (Sheldrick, 1997) and developed through iterative cycles of least-squares re®nement and difference Fourier syntheses. Water H atoms were found from a F synthesis, while others were placed geometrically; these were then re®ned as a rigid H 2 O group [OÐH 0.85 (1) AÊ and H H

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1,4 Bis(2 pyridyl­sulfanyl)­butane

1,4 Bis(2 pyridyl­sulfanyl)­butane

S1 0.0477 (6) 0.0531 (6) 0.0825 (7) −0.0004 (5) 0.0170 (5) −0.0079 (6) S2 0.0432 (6) 0.0923 (8) 0.0608 (6) 0.0011 (6) 0.0110 (5) −0.0090 (6) N1 0.040 (2) 0.050 (2) 0.0494 (19) 0.0021 (15) 0.0125 (16) −0.0009 (17) N2 0.046 (2) 0.057 (2) 0.067 (2) 0.0022 (17) 0.0115 (18) −0.0081 (18) C1 0.049 (3) 0.057 (3) 0.063 (3) 0.005 (2) 0.022 (2) 0.010 (2) C2 0.079 (3) 0.057 (3) 0.061 (3) −0.014 (3) 0.029 (3) −0.012 (2) C3 0.061 (3) 0.095 (4) 0.059 (3) −0.022 (3) 0.010 (2) −0.011 (3) C4 0.037 (3) 0.078 (3) 0.061 (3) −0.004 (2) 0.007 (2) 0.003 (2) C5 0.041 (3) 0.045 (2) 0.049 (2) −0.006 (2) 0.016 (2) 0.0079 (18) C6 0.065 (3) 0.048 (2) 0.054 (2) −0.007 (2) 0.015 (2) −0.010 (2) C7 0.054 (3) 0.044 (2) 0.054 (2) −0.0052 (19) 0.011 (2) 0.0007 (19) C8 0.056 (3) 0.049 (3) 0.043 (2) −0.0006 (19) 0.009 (2) −0.0025 (18) C9 0.055 (2) 0.069 (3) 0.042 (2) −0.010 (2) 0.0065 (18) −0.002 (2) C10 0.039 (2) 0.044 (2) 0.049 (3) −0.0055 (19) 0.009 (2) 0.0054 (18) C11 0.045 (3) 0.058 (3) 0.061 (3) −0.001 (2) 0.003 (2) 0.013 (2) C12 0.079 (4) 0.062 (3) 0.056 (3) −0.019 (3) 0.001 (3) 0.003 (2) C13 0.097 (4) 0.053 (3) 0.076 (3) −0.001 (3) 0.031 (3) −0.007 (2) C14 0.057 (3) 0.058 (3) 0.089 (3) 0.006 (2) 0.013 (3) −0.004 (3)
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Crystal structure of butane 1,4 diyl bis­­(furan 2 carboxyl­ate)

Crystal structure of butane 1,4 diyl bis­­(furan 2 carboxyl­ate)

Single crystal X-ray structure analysis of butane-1,4-diyl dibenzoate (BT), a model compound of PBT, showed that its spacer lies in a tgttt conformation different from that of PBT (Palmer et al., 1985). A powder X-ray diffraction study on PBF (Zhu et al., 2013) has estimated dihedral angles of its spacer to be 180 (trans), 66 (+synclinal), 99 (+anticlinal), 124

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1,4 Bis(2 mercaptobenzo­thia­zolyl)­butane

1,4 Bis(2 mercaptobenzo­thia­zolyl)­butane

has a center of symmetry. All the C and S atoms in the central alkyl chain are coplanar, and this plane is almost perpendic- ular to the benzothiazolyl rings. The molecules are linked together by intermolecular S S interactions to form a one- dimensional chain.

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Crystal structure of cis bis­­[4 phenyl 2 (1,2,3,4 tetra­hydro­naphthalen 1 yl­­idene)hydrazinecarbo­thio­amidato κ2N1,S]nickel(II) monohydrate tetra­hydro­furan disolvate

Crystal structure of cis bis­­[4 phenyl 2 (1,2,3,4 tetra­hydro­naphthalen 1 yl­­idene)hydrazinecarbo­thio­amidato κ2N1,S]nickel(II) monohydrate tetra­hydro­furan disolvate

coordination geometry. In the complex molecule significant structural changes of the N–N–C–S fragment are observed. For the non-coordinating2-(1,2,3,4-tetrahydronaphthalen-1- ylidene)-4-phenyl-hydrazinecarbothioamide ligand, the N—N, N—C and C—S bond lengths amount to 1.385 (2), 1.364 (2) and 1.677 (2) A ˚ . These lengths indicate the double-bond character of the N N and C S bonds, and the single-bond character of the N–C bond (de Oliveira et al., 2014). In contrast, in the title complex the acidic hydrogen of the hydrazine fragment is removed and the negative charge is delocalized over the N–N–C–S fragment. Therefore, the N— N, N—C and C—S bond lengths amount to 1.405 (2), 1.304 (2) and 1.757 (2) A ˚ respectively in one ligand and 1.401 (2), 1.298 (3) and 1.761 (2) A ˚ in the other. The N—C bond lengths indicate a considerable double-bond character, while the
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Bis(1 amino 4 methyl­pyridinium) bis­­(1,2 di­cyano­ethene 1,2 di­thiol­ato κ2S,S′)nickelate(II)

Bis(1 amino 4 methyl­pyridinium) bis­­(1,2 di­cyano­ethene 1,2 di­thiol­ato κ2S,S′)nickelate(II)

Ni1 0.0304 (3) 0.0274 (3) 0.0316 (3) 0.0051 (2) 0.0022 (2) −0.0029 (2) S1 0.0501 (5) 0.0389 (4) 0.0369 (4) 0.0191 (3) 0.0041 (3) −0.0026 (3) S2 0.0558 (5) 0.0376 (4) 0.0348 (4) 0.0194 (4) 0.0031 (3) −0.0010 (3) N1 0.091 (3) 0.058 (2) 0.0556 (18) 0.0214 (18) 0.0098 (17) −0.0172 (15) N2 0.0604 (18) 0.0588 (18) 0.0416 (15) 0.0165 (14) 0.0021 (12) 0.0067 (12) N3 0.0428 (14) 0.0357 (13) 0.0576 (15) 0.0130 (11) 0.0119 (11) −0.0003 (11) N4 0.078 (2) 0.0500 (17) 0.0605 (18) 0.0180 (16) 0.0238 (16) 0.0052 (13) C1 0.0360 (14) 0.0370 (15) 0.0354 (14) 0.0068 (11) 0.0052 (11) −0.0055 (11) C2 0.0506 (18) 0.0385 (16) 0.0421 (16) 0.0100 (13) 0.0029 (13) −0.0063 (12) C3 0.0334 (14) 0.0344 (14) 0.0342 (13) 0.0058 (11) 0.0020 (10) −0.0028 (10) C4 0.0400 (16) 0.0402 (15) 0.0404 (15) 0.0073 (12) 0.0051 (12) 0.0007 (12)
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1,4 Bis(1 phenyl 1H tetrazol 5 ylsulfanyl)butane

1,4 Bis(1 phenyl 1H tetrazol 5 ylsulfanyl)butane

S1 0.0300 (3) 0.0443 (3) 0.0588 (3) −0.00080 (19) 0.0099 (2) 0.0001 (2) S2 0.0299 (3) 0.0424 (3) 0.0746 (4) 0.0000 (2) 0.0144 (2) −0.0017 (2) N1 0.0337 (8) 0.0433 (9) 0.0420 (9) −0.0039 (7) 0.0099 (7) 0.0000 (7) N2 0.0438 (10) 0.0546 (11) 0.0635 (12) −0.0116 (8) 0.0139 (8) 0.0055 (9) N3 0.0394 (10) 0.0677 (12) 0.0707 (13) −0.0054 (9) 0.0181 (9) 0.0092 (10) N4 0.0360 (9) 0.0569 (11) 0.0659 (12) 0.0011 (8) 0.0211 (8) 0.0033 (9) N5 0.0350 (9) 0.0611 (11) 0.0625 (12) 0.0050 (8) 0.0159 (8) −0.0039 (9) N6 0.0447 (11) 0.0709 (13) 0.0714 (14) 0.0142 (10) 0.0195 (9) −0.0048 (10) N7 0.0519 (11) 0.0576 (11) 0.0639 (12) 0.0209 (9) 0.0145 (9) −0.0035 (9) N8 0.0384 (9) 0.0437 (9) 0.0459 (9) 0.0080 (7) 0.0110 (7) −0.0034 (7) C1 0.0422 (11) 0.0454 (11) 0.0473 (11) 0.0030 (9) 0.0089 (9) 0.0035 (9) C2 0.0426 (12) 0.0578 (13) 0.0625 (14) 0.0099 (10) 0.0107 (10) 0.0153 (11) C3 0.0596 (15) 0.0666 (16) 0.0783 (18) 0.0258 (12) 0.0272 (13) 0.0159 (14) C4 0.093 (2) 0.0581 (15) 0.0755 (18) 0.0200 (14) 0.0316 (16) −0.0101 (13) C5 0.0630 (14) 0.0515 (13) 0.0571 (14) 0.0031 (11) 0.0126 (11) −0.0086 (11) C6 0.0413 (10) 0.0384 (10) 0.0409 (11) 0.0040 (8) 0.0125 (8) 0.0053 (8) C7 0.0339 (10) 0.0465 (11) 0.0394 (10) 0.0001 (8) 0.0118 (8) −0.0013 (8) C8 0.0353 (10) 0.0369 (10) 0.0586 (13) 0.0039 (8) 0.0152 (9) −0.0058 (9) C9 0.0341 (10) 0.0457 (11) 0.0584 (13) 0.0042 (8) 0.0123 (9) −0.0013 (9) C10 0.0314 (10) 0.0484 (11) 0.0573 (13) −0.0042 (8) 0.0151 (9) −0.0018 (9) C11 0.0342 (10) 0.0457 (11) 0.0510 (12) −0.0008 (8) 0.0140 (9) 0.0031 (9) C12 0.0371 (10) 0.0472 (11) 0.0416 (11) 0.0022 (8) 0.0100 (8) −0.0067 (9) C13 0.0478 (11) 0.0372 (10) 0.0401 (11) 0.0064 (8) 0.0080 (9) 0.0075 (8) C14 0.0732 (15) 0.0400 (11) 0.0480 (13) 0.0010 (10) 0.0126 (11) 0.0050 (9) C15 0.0873 (19) 0.0462 (13) 0.0669 (16) −0.0185 (13) 0.0056 (14) 0.0115 (12) C16 0.0687 (17) 0.0624 (16) 0.0839 (19) −0.0126 (13) 0.0202 (14) 0.0292 (14) C17 0.0725 (16) 0.0632 (15) 0.0755 (17) 0.0081 (13) 0.0381 (14) 0.0211 (13) C18 0.0576 (13) 0.0482 (12) 0.0531 (13) 0.0033 (10) 0.0209 (10) 0.0043 (10)
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Bis(benzofuran-thiazolidinone)s and bis(benzofuran-thiazinanone)s as inhibiting agents for chikungunya virus

Bis(benzofuran-thiazolidinone)s and bis(benzofuran-thiazinanone)s as inhibiting agents for chikungunya virus

9 The antiviral activity of bis(benzofuran–1,3-thiazolidin-4-one)s 2 and bis(benzofuran–1,3-thiazinan-4-one)s 3 was first analyzed in cytopathic effect (CPE) reduction assays with CHIKV by testing four different concentrations (i.e., 100, 25, 6.3, and 1.6 µM) in two independent experiments. Only compounds that showed at least 50% protection against CHIKV-induced CPE in this primary screen were selected for validation in a secondary screen. In that case, eight 2-fold serial dilutions of compounds with an initial starting concentration of 200 µM were analyzed (in quadruplicate) to determine the EC 50 . Cytotoxicity was analyzed in parallel in uninfected cells to determine
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Bis(μ N benzyl N furfuryldi­thio­carbamato) 1:2κ3S,S′:S′;2:1κ3S,S′:S′ bis­­[(N benzyl N furfuryldi­thio­carbamato κ2S,S′)cadmium]

Bis(μ N benzyl N furfuryldi­thio­carbamato) 1:2κ3S,S′:S′;2:1κ3S,S′:S′ bis­­[(N benzyl N furfuryldi­thio­carbamato κ2S,S′)cadmium]

Cd1 0.04729 (11) 0.07969 (15) 0.06005 (12) −0.00253 (9) −0.00010 (8) 0.01815 (9) S1 0.0565 (4) 0.0598 (4) 0.0811 (5) −0.0032 (3) −0.0080 (3) 0.0110 (3) S2 0.0555 (3) 0.0749 (4) 0.0621 (4) −0.0052 (3) 0.0016 (3) −0.0080 (3) S3 0.0778 (5) 0.0687 (4) 0.0755 (5) −0.0147 (4) −0.0255 (4) 0.0130 (3) S4 0.0529 (3) 0.0606 (4) 0.0525 (3) 0.0008 (3) 0.0049 (3) 0.0080 (3) C1 0.0465 (12) 0.0664 (15) 0.0452 (12) −0.0041 (11) 0.0098 (9) 0.0064 (10) N2 0.0491 (10) 0.0646 (13) 0.0506 (11) 0.0028 (9) 0.0035 (8) −0.0021 (9) C3 0.0701 (17) 0.0738 (18) 0.0729 (18) 0.0165 (14) 0.0038 (13) −0.0170 (14) C4 0.0653 (16) 0.0570 (15) 0.0790 (18) 0.0081 (13) 0.0074 (14) −0.0039 (13) O5 0.0887 (14) 0.0842 (14) 0.1023 (17) −0.0057 (12) 0.0218 (13) 0.0044 (13)
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