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Crystal Structure 4-(2,4-Dihydroxybenzylideneamino)-5-methyl-2H-1,2,4-triazol-3(4H)-one

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Abstract

The title compound (I), 4-(2,4-dihydroxybenzlideneamino)-5-methyl-2H-1,2,4-triazol-3(4H)-one was characterized by single crystal X-ray diffraction. This crystal is monoclinic, space group P21/c with a = 10.1447(7) Å, b = 7.0972(3) Å, c = 14.6726(10) Å, β = 98107(5)°, V = 1045.85(11) Å3, Z = 4, D c = 1.487 g/cm3, F 00 = 488, R = 0.039 and wR = 0.1025, S = 1.003, T = 293 (2) K. The title molecule is planar: the angle between the triazole ring and benzene ring is 179.1(1)°. The crystal structure contains two intramolecular (O–H···N and C–H···O) and three intermolecular interaction (O–H···N, N–H···O, and C–H···O). In addition, there is also π–π interactions.

Graphical Abstract

Crystal structure analysis of 4-(2,4-dihydroxybenzylideneamino)-5-methyl-2H-1,2,4-triazol-3(4H)-one

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Acknowledgments

The authors thank the Faculty of Art and Science, Ondokuz Mayıs Universty, Turkey, for the use of the STOE IPDS 2 diffractometer.

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Authors and Affiliations

  1. Department of Middle Education, Educational Faculty, Ondokuz Mayıs University, 55200, Atakum-Samsun, Turkey

    Reşat Ustabaş

  2. Department of Chemistry, Faculty of Arts and Sciences, Karadeniz Teknik University, 61080, Trabzon, Turkey

    Dilek Ünlüer & Gülcan Kör

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  1. Reşat Ustabaş
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  2. Dilek Ünlüer
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  3. Gülcan Kör
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Correspondence to Reşat Ustabaş.

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Ustabaş, R., Ünlüer, D. & Kör, G. Crystal Structure 4-(2,4-Dihydroxybenzylideneamino)-5-methyl-2H-1,2,4-triazol-3(4H)-one. J Chem Crystallogr 41, 1237–1240 (2011). https://doi.org/10.1007/s10870-011-0081-z

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