Crystal and Molecular Structure of 4-Benzoyl-1,5-diphenyl-1H-pyrazole-3-carbonitrile

doi:10.4236/CSTA.2012.11001

Paper

Crystal and Molecular Structure of 4-Benzoyl-1,5-diphenyl-1H-pyrazole-3-carbonitrile

Published Jun 29, 2012 · E. Korkusuz, E. ahin, Yildirim

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Abstract

The crystal structure of potential active 4-benzoyl-1,5-diphenyl-1H*-pyrazole-3-carbonitrile (C23H15N3O) (I) has been determined from single crystal X-ray diffraction data. Also IR, Uv-vis and NMR spectral data were determined. The title compound crystallizes in the monoclinic space group P* 21/c, with a* = 9.3167(2), b* = 20.6677(3), c* = 10.6143(3) ?, β* = 112.665(3)°, V* = 1886.00(8) ?3, Dcalc* = 1.23g cm-3, Z* = 4. In the structure, intermolecular H*-bonds lead to the formation of a centrosymmetric dimmer of the molecule. Furthermore, the compound has a wide transmission window (300 to 1100 nm) with a transparency of nearly 100% and the UV cut-off wavelength occurs at 242 nm.

Study Snapshot

The crystal structure of 4-benzoyl-1,5-diphenyl-1H-pyrazole-3-carbonitrile (C23H15N3O) (I) reveals a wide transmission window (300 to 1100 nm) and a nearly 100% transparency, with potential applications in UV-visible

PopulationOlder adults (50-71 years)

Sample size24

MethodsObservational

OutcomesBody Mass Index projections

ResultsSocial networks mitigate obesity in older groups.

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Paper

Crystal and Molecular Structure of 4-Benzoyl-1,5-diphenyl-1H-pyrazole-3-carbonitrile

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References

Further derivatives of 4-benzoyl-1,5-diphenyl-1H-pyrazole-3-carboxylic acid and their antibacterial activities

The sulfamide derivative 5 shows the best antibacterial activity against both Gram-positive and Gram-negative bacteria, making it a promising compound for antimicrobial applications.

Experimental and theoretical studies on the functionalization reactions of 4-benzoyl-1,5-diphenyl-1H-pyrazole-3-carboxylic acid and-acid chloride with various aminophenols

This study demonstrates that 1H-pyrazole-3-carboxylic acid can be converted into N-(hydroxyphenyl)-1H-pyrazole-3-carboxamides in good yields (34-53%).

Experimental and Theoretical Studies on the Functionalization Reactions of 4-Benzoyl-1,5-Diphenyl-1H-Pyrazole-3-Carboxylic Acid and Acid Chloride with 2,3-Diaminopyridine

The study demonstrates that 1H-pyrazole-3-carboxamide 5 can be synthesized in good yield (69%) by reacting acid chloride with 2,3-diaminopyridine, with the 3H-imidazo[4,5-b] pyridine derivative 6 also being synthesized.

Experimental and quantum-chemical calculations on some 1H-pyrazole-3-carboxamide and -3-carboxylate derivatives formation

This study successfully synthesized new 1H-pyrazole-3-carboxamide and -3-carboxylate derivatives with high yields (66-95%) using various binucleophiles and pyridine in benzene, revealing their structures and reaction mechanisms.

Synthesis and Anti-HSV-1 Activity of 6 Substituted Pyrazolo[3,4-d]Pyridazin-7-one Nucleosides

The new series of 6-substituted pyrazolo[3,4-d]pyridazin-7-one nucleosides shows 2 fold more antiviral activity against HSV-1 compared to their parent series.

Tautomerism of NH-pyrazolinones in the solid state: the case of 3(5)-ethoxycarbonyl-5(3)-hydroxypyrazole

The solid state of 3(5)-ethoxycarbonyl-5(3)-hydroxypyrazole is 5-ethoxycarbonyl-3-hydroxypyrazole, 3.

Preparation and bioactivity of pyrazole derivatives as potential cross-linking agent

Pyrazle derivatives show potential as cross-linking agents with cytotoxicity against cancer cells and antitumor activity against L1210, with the best results achieved with trichloride 5.

Review: Approaches to New Parasiticides

New screening procedures and target-site-directed approaches can effectively discover new, effective and safe parasiticides against nematodes and arthropods.

Citations

Nano-TiCl4.SiO2 Promoted One-Pot Synthesis of Amides or Nitriles from Aldehydes

Nano-TiCl4.SiO2 catalyst efficiently and easily enables the one-pot synthesis of amides or nitriles from aldehydes, with high yields and short reaction times.