2004•Lanzhou University Institutional RepositoryOpen access

Synthesis and crystal structure of 2(1-phenyl-3-methyl-5-chloro-1H-pyrazol-4-yl)-3-(1-naphthoylamido)-4-thiazolidinone

Mingyi Li, LR Wen, SX Jing, Guang–Lin Zhao, ZH Yang, Yang, ZH (reprint author), Nankai Univ, Inst Elementoorgan Chem, Tianjin 300071, Peoples R China.

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Abstract

The crystal structure of 2(1-phenyl-3-methyl-5-chloro-1H-pyrazol-4-yl)-3-(1-naphthoylamido)-4-thiazolidinone (C24H19ClN4O2S, M-r = 462.94) has been determined by single-crystal X-ray diffraction method. The crystal belongs to monoclinic, space group P2(1)/c with a = 11.623(5), b = 11.579(5), c = 16.619(7) Angstrom, beta = 90.112(8)degrees, V = 2237(2) Angstrom(3), Z = 4, D-c = 1.375 g/cm(3), mu = 0.294 mm(-1), F(000) = 960, R = 0.0492 and wR = 0.0768 for 3932 unique reflections with 1897 observed ones (I > 2sigma(I)). X-ray analysis reveals that there exist both infra-and intermolecular hydrogen bonds in the crystal lattice.

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What this paper is about

The crystal structure of 2(1-phenyl-3-methyl-5-chloro-1H-pyrazol-4-yl)-3-(1-naphthoylamido)-4-thiazolidinone (C24H19ClN4O2S, M-r = 462.94) has been determined by single-crystal X-ray diffraction method. The crystal belongs to monoclinic, space group P2(1)/c with a = 11.623(5), b = 11.579(5), c = 16.619(7) Angstrom, beta = 90.112(8)degrees, V = 2237(2) Angstrom(3), Z = 4, D-c = 1.375 g/cm(3), mu = 0.294 mm(-1), F(000) = 960, R = 0.0492 and wR = 0.0768 for 3932 unique reflections with 1897 observed ones (I > 2sigma(I)). X-ray analysis reveals that there exist both infra-and intermolecular hydrogen bonds in the crystal lattice.

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Available abstract

The crystal structure of 2(1-phenyl-3-methyl-5-chloro-1H-pyrazol-4-yl)-3-(1-naphthoylamido)-4-thiazolidinone (C24H19ClN4O2S, M-r = 462.94) has been determined by single-crystal X-ray diffraction method. The crystal belongs to monoclinic, space group P2(1)/c with a = 11.623(5), b = 11.579(5), c = 16.619(7) Angstrom, beta = 90.112(8)degrees, V = 2237(2) Angstrom(3), Z = 4, D-c = 1.375 g/cm(3), mu = 0.294 mm(-1), F(000) = 960, R = 0.0492 and wR = 0.0768 for 3932 unique reflections with 1897 observed ones (I > 2sigma(I)). X-ray analysis reveals that there exist both infra-and intermolecular hydrogen bonds in the crystal lattice.

Key concepts: Monoclinic crystal system, Crystal structure, Hydrogen bond, Intermolecular force, Crystallography, Chemistry, Crystal (programming language), Angstrom

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