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27th June 2012 @ 23:09
Single-crystal X-ray diffraction analyses were performed using a Bruker APEXII CCD diffractometer mounted at the window of a Bruker FR591 rotating anode (MoKα = 0.71073 Å) and equipped with an Oxford Cryosystems cryostream device. Data were processed using the Collect package and unit cell parameters were refined against all data. An empirical absorption correction was carried out using SADABS . The structures were solved by direct methods using SHELXS-97 and refined on Fo2 by full-matrix least-squares refinements using SHELXL-97. All non-hydrogen atoms were refined with anisotropic displacement parameters. All hydrogen atoms were added at calculated positions and refined using a riding model with isotropic displacement parameters based on the equivalent isotropic displacement parameter (Ueq) of the parent atom. Figures were produced using OLEX2
6th May 2012 @ 18:16
Spectroscopic Method: MS-ESI
Substituent: Nitro
MS Spectrum of (3E)-3-(4-Nitrobenzylidene)-1,3-dihydro-2H-indol-2-one:

MS Spectrum of 3-(1-Nitrophenyl) 1, 3-Dihydroindol-2H-one



The mass spectrum of (3E)-3-(4-Nitrobenzylidene)-1,3-dihydro-2H-indol-2-one has been obtained by negative electrospray ionization (ESI). The peak at m/e = 265.2 confirms the molecular mass of this compound as the molecular ion gains a proton.

Interpretation of MS Spectrum of (3E)-3-(4-Nitrobenzylidene)-1,3-dihydro-2H-indol-2-one:

Peak PositionDiff. between molecular mass and peakSuspected molecules or ionsInference
265.2265 - 264 = 1(M+H)+Parent compound plus a proton
Attached Files
6th May 2012 @ 18:08
Spectroscopic Method: MS-ESI
Substituent: Methoxy
MS Spectrum of (3E)-3-(4-Methoxybenzylidene)-1,3-dihydro-2H-indol-2-one:

MS Spectrum of 3-(3-Methoxyphenyl) 1, 3-Dihydroindol-2H-one


The mass spectrum of (3E)-3-(4-Methoxybenzylidene)-1,3-dihydro-2H-indol-2-one has been obtained by positive electrospray ionization (ESI). The peak at m/e = 252.2 confirms the molecular mass of this compound as the molecular ion gains a proton.

Interpretation of MS Spectrum of (3E)-3-(4-Methoxybenzylidene)-1,3-dihydro-2H-indol-2-one:

Peak PositionDiff. between molecular mass and peakSuspected molecules or ionsInference
252.2252 – 251 = 1(M+H)+Compound gains a proton.
293.2293 - 251 = 42(M+H+Na+H2O)+ Na(23), H2O (18)Sodium & H+ ions and water molecule attach to the compound.
315.2315-251=64(M+HCOOH+H2O)+Molecular ion gains formic acid and water molecule.
Attached Files
6th May 2012 @ 17:49
Spectroscopic Method: MS-ESI
Substituent: Bromo
Spectrum of (3E)-3-(4-Bromobenzylidene)-1,3-dihydro-2H-indol-2-one:

Spectrum of (3E)-3-(4-Bromobenzylidene)-1,3-dihydro-2H-indol-2-one


The mass spectrum of (3E)-3-(4-Bromobenzylidene)-1,3-dihydro-2H-indol-2-one has been obtained by positive electrospray ionization (ESI). The peak at m/e =300.1 confirms the molecular mass of this compound as the molecular ion gains a proton.

Interpretation of MS Spectrum of (3E)-3-(4-Bromobenzylidene)-1,3-dihydro-2H-indol-2-one:

Peak PositionDiff. between molecular mass and peakSuspected molecules or ionsInference
300.1300-299 = 1(M+H)+Molecular ion gains a proton, 79Br isotope present.
302.1302-299 = 3(M+H)+Molecular ion gains a proton, 81Br isotope present.
332.2332-299 = 33(M+MeOH+H)+Compound gains methanol and proton.
Attached Files
6th May 2012 @ 17:40
Spectroscopic Method: MS-ESI
Substituent: Chloro
MS Spectrum of (3E)-3-(4-Chlorobenzylidene)-1,3-dihydro-2H-indol-2-one:

MS Spectrum of (3E)-3-(4-Chlorobenzylidene)-1,3-dihydro-2H-indol-2-one


The mass spectrum of (3E)-3-(4-Chlorobenzylidene)-1,3-dihydro-2H-indol-2-one has been obtained by positive electrospray ionization (ESI). The peak at m/e =256.2 confirms the molecular mass of this compound as the molecular ion gains a proton.

Interpretation of MS Spectrum of (3E)-3-(4-Chlorobenzylidene)-1,3-dihydro-2H-indol-2-one:

Peak PositionDiff. between molecular mass and peakSuspected molecules or ionsInference
258.2258-255=3(M+H)+ H(1)Molecular ion gains a proton, 37Cl isotope present.
259.2259-255=4(M+He)+ He(4)Compound gains helium atom
288.2288-255=33(M+MeOH)+ MeOH(32)Molecular ion gains methanol, 13C isotope present.
290.2290-255=35(M+H2O+NH3)+ H2O(18), NH3(17)Molecular ion gains water and ammonia molecules
299.2299-255=44(M+CO2)+ CO2(44)Compound gains carbon (IV) oxide molecule.
297.2297-255=42(M+Na+H2O)+ Na(23), H2O(18)Molecular ion gains water and sodium atom
273.2273-255=18(M+H2O)+Compound gains water
Attached Files