The crystal structure of a 2,2-diphenyl-1-picrylhydrazyl (DPPH) modification

Kiers, C. Th.; Boer, J. L. de; Olthof, R.; Spek, A. L.

doi:10.1107/s0567740876007632

Cited by 22 publications

(21 citation statements)

References 19 publications

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“…1 and 2), agree well with those found in previous crystallographic studies of DPPH solvates [3,6,7]. Bond lengths and angles of the pycryl-N-N-Ph 2 system (Table 2) indicate that the unpaired electron is delocalized over the C1-N19-N20 fragment with the bonds order of ca 1.5.…”

Section: Crystallographysupporting

confidence: 86%

“…A detailed structural analysis showed that the orthorhombic DPPH form (crystallized from ether), in accord with the previous preliminary measurements [8], does not contain solvent molecules; however, the triclinic DPPH form (crystallized from CS 2 ), believed to be solvent free for 40 years, is actually a solvate with the stoichiometry 4DPPHÁCS 2 . This form is isostructural with the acetone solvate, 4DPPHÁCH 3 COCH 3 [6]. In addition, it has been shown that magnetic properties of these two kinds of DPPH crystals are quite different.…”

Section: Introductionmentioning

confidence: 96%

“…In the Cambridge Structural Database [5] crystal structures of two DPPH solvates, one with acetone [6] and the other with benzene [7], are deposited. The benzene solvate was also investigated by neutron diffraction [3].…”

Section: Introductionmentioning

confidence: 99%

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Single crystals of DPPH grown from diethyl ether and carbon disulfide solutions – Crystal structures, IR, EPR and magnetization studies

Žilić¹,

Pajić²,

Jurić³

et al. 2010

Journal of Magnetic Resonance

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Single crystals of the free radical 2,2-diphenyl-1-picrylhydrazyl (DPPH) obtained from diethyl ether (ether) and carbon disulfide (CS₂) were characterized by the X-ray diffraction, IR, EPR and SQUID magnetization techniques. The X-ray structural analysis and IR spectra showed that the DPPH form crystallized from ether (DPPH1) is solvent free, whereas that one obtained from CS₂ (DPPH2) is a solvate of the composition 4DPPH·CS₂. Principal values of the g-tensor were estimated by the X-band EPR spectroscopy at room and low (10 K) temperatures. Magnetization studies revealed the presence of antiferromagnetically coupled dimers in both types of crystals. However, the way of dimerization as well as the strength of exchange couplings are different in the two DPPH samples, which is in accord with their crystal structures. The obtained results improved parameters accuracy and enabled better understanding of properties of DPPH as a standard sample in the EPR spectrometry.

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Section: Crystallographysupporting

confidence: 86%

Section: Introductionmentioning

confidence: 96%

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Single crystals of DPPH grown from diethyl ether and carbon disulfide solutions – Crystal structures, IR, EPR and magnetization studies

Žilić¹,

Pajić²,

Jurić³

et al. 2010

Journal of Magnetic Resonance

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“…The molecule exists in several crystalline forms but the more precise structural determination is that of Kiets et al (7). The N-N bond length in the anion, 1.412(3) A, is 0.076 longer than the average value for the N-N bonds in the two independent molecules of the free radical, as found in the aforementioned structure determkation.…”

Section: Methodsmentioning

confidence: 72%

The crystal structure of potassium 1-(N,N-diphenylhydrazono)-2,4,6-trinitrobenzenide

Gopal¹,

Robertson²,

Weil³

1983

Can. J. Chem.

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“…Further tests on other P1 structures [C3oH37NO5, Z = 2 (Shakked & Kennard, 1977); C18H12NsO6, Z = 4 (Kiers, de Boer, Olthof & Spek, 1976) show a similar trend. A careful examination of our results leads us to conclude that, as for the first, the use of the second representation seems the more effective the more the symmetry increases.…”

Section: P+ ~_ 1 + Rij P?mentioning

confidence: 69%

Practical aspects and applications of some probabilistic formulae which estimate one-phase seminvariants

Burla¹,

Nunzi²,

Polidori³

et al. 1980

Acta Cryst Sect A

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Some algorithms have been derived to calculate the expected values of one-phase seminvariants of first rank in space groups up to orthorhombic by a probabilistic approach [Giacovazzo (1978). Acta Cryst. A34, 562-576]. The method has been tested on several known structures. The results show how the method can secure a very reliable estimate for a limited number of one-phase seminvariants which can be used from the initial stages of phase determination. In addition, the estimated values can be used as a good figure of merit to select the correct K2 solution in a multisolution procedure.

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The crystal structure of a 2,2-diphenyl-1-picrylhydrazyl (DPPH) modification

Cited by 22 publications

References 19 publications

Single crystals of DPPH grown from diethyl ether and carbon disulfide solutions – Crystal structures, IR, EPR and magnetization studies

Single crystals of DPPH grown from diethyl ether and carbon disulfide solutions – Crystal structures, IR, EPR and magnetization studies

The crystal structure of potassium 1-(N,N-diphenylhydrazono)-2,4,6-trinitrobenzenide

Practical aspects and applications of some probabilistic formulae which estimate one-phase seminvariants

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