3-Chloro-2-ethyl-6-nitro-2<i>H</i>-indazole

Abdelahi, Mohamed Mokhtar Mohamed; Bakri, Youness El; Minnih,; Benchidmi, M.; Essassi, El Mokhtar; Mague, Joel T.

doi:10.1107/s2414314617006526

IUCr Data

2017

DOI: 10.1107/s2414314617006526

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3-Chloro-2-ethyl-6-nitro-2H-indazole

Mohamed Mokhtar Mohamed Abdelahi

Youness El Bakri

Minnih Minnih

et al.

Abstract: In the title compound, C 9 H 8 ClN 3 O 2 , the orientation of the ethyl substituent is partly determined by an intramolecular C-HÁ Á ÁCl hydrogen bond. The indazole moiety is slightly folded with an angle of 0.70 (8) between the fiveand six-membered rings. In the crystal, molecules pack in layers parallel to [100] through C-HÁ Á Á(ring) and N . . . OÁ Á Á(ring) interactions.

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Cited by 3 publications

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Metrics for crystallographic diffraction- and fit-data: a review of existing ones and the need for new ones

Henn

2019

Crystallography Reviews

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Normal probability plots and corresponding histograms of the residuals for 1 and 2. Additional simulation of the histogram of data generated from two Gaussians with different variances -Fig.2: fraction of data with Miller triples being a multiple of 3 and fraction of rare events ||>3 from these fractions for 1 and 2 -Fig.3: BayCon plots (X), X = (I c , , sintl, I o / (Io)) and corresponding  2 values for 1 and 2 -Fig:4: BayCon plots (  X), X = (I c , , sintl, I o / (Io)) and corresponding  2 values for 1 and 2 -Fig5: Squared residuals in individual bins of the data sorted by significance I o / (Io); observed intensity, I o ; and resolution (sin / respectively for 1 and 2 -Fig.6: Correlation coefficients cc(  ,  cc(  ,  cc(  ,  for the data sorted in increasing order of the significance of the observed intensities for 1 and 2 -Fig 7: Diagnostic plots for the neutron diffraction data set oxa14 from Kaminski et a Description of a simulation for testing the standard deviations sqrt(1/Nref) of the correlation coefficients with the help of random numbers.

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Metrics for crystallographic diffraction- and fit-data: a review of existing ones and the need for new ones

Henn

2019

Crystallography Reviews

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Crystal structure, DFT calculations and Hirshfeld surface analysis of 3-(4-methylphenyl)-6-nitro-1H-indazole

Ben‐Yahia¹,

Bakri²,

Lai

et al. 2018

Acta Cryst E

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2-Benzyl-6-nitro-2H-indazole

Abdelahi¹,

Bakri²,

Benchidmi³

et al. 2018

IUCr Data

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In the title compound, C14H11N3O2, the indazole portion is planar to within 0.022 (2) Å and subtends a dihedral angle of 65.87 (7)° with the pendant benzene ring. In the crystal, oblique stacks of molecules extending along the a-axis direction are generated by π–π stacking interactions between the five- and six-membered rings [centroid–centroid separation = 3.6743 (19) Å] and the stacks are cross-linked by C—H...O hydrogen bonds.

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3-Chloro-2-ethyl-6-nitro-2H-indazole

Cited by 3 publications

References 8 publications

Metrics for crystallographic diffraction- and fit-data: a review of existing ones and the need for new ones

Metrics for crystallographic diffraction- and fit-data: a review of existing ones and the need for new ones

Crystal structure, DFT calculations and Hirshfeld surface analysis of 3-(4-methylphenyl)-6-nitro-1H-indazole

2-Benzyl-6-nitro-2H-indazole

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