1-(3-Methylbenzoyl)-3-(6-methyl-2-pyridyl)thiourea

Yusof, M. Sukeri M; Tajuddin, Nazrizawati Ahmad; Yamin, Bohari Mohd.

doi:10.1107/s1600536806025414

Cited by 4 publications

(3 citation statements)

References 2 publications

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“…For related crystal structures, see: Yusof, Tajuddin et al (2006); Yusof, Soh et al (2006); Yusof et al (2007). T = 298 (2) K 0.42 Â 0.32 Â 0.31 mm…”

Section: Related Literaturementioning

confidence: 99%

N-(2-Furoyl)-N′-(6-methyl-2-pyridyl)thiourea

et al. 2007

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Key indicators: single-crystal X-ray study; T = 298 K; mean (C-C) = 0.003 Å; R factor = 0.044; wR factor = 0.130; data-to-parameter ratio = 14.4.The title molecule, C 12 H 11 N 3 O 2 S, adopts a cis-trans configuration of the furoyl and 6-methyl-2-pyridyl groups with respect to the thiono S atom across the thiourea C-N bonds. Intramolecular N-HÁ Á ÁO, N-HÁ Á ÁN and C-HÁ Á ÁO hydrogen bonds contribute to the essential planarity of the molecular skeleton. In the crystal structure, weak intermolecular N-HÁ Á ÁS hydrogen bonds link the molecules into centrosymmetric dimers. ExperimentalCrystal data C 12 H 11 N 3 O 2 S M r = 261.30 Monoclinic, P2 1 =c a = 7.3189 (16) Å b = 18.187 (4) Å c = 9.534 (2) Å = 108.482 (4) V = 1203.6 (4) Å 3 Z = 4 Mo K radiation = 0.27 mm À1 T = 298 (2) K 0.42 Â 0.32 Â 0.31 mm Data collection Bruker SMART APEX CCD areadetector diffractometer Absorption correction: multi-scan (SADABS; Bruker, 2000) T min = 0.896, T max = 0.922 6575 measured reflections 2352 independent reflections 1959 reflections with I > 2(I) R int = 0.018

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“…For related crystal structures, see: Yusof, Tajuddin et al (2006); Yusof, Soh et al (2006); Yusof et al (2007). T = 298 (2) K 0.42 Â 0.32 Â 0.31 mm…”

Section: Related Literaturementioning

confidence: 99%

N-(2-Furoyl)-N′-(6-methyl-2-pyridyl)thiourea

et al. 2007

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“…Inspired by the relationship of the promising application of thiourea compound, availability of Crystallographic Information File (CIF) and a powerful tool, we decided to analyse our previously synthesized and reported compounds namely 1-(3-Methylbenzoyl)-3-(6-methyl-2-pyridyl)thiourea (Yusof et al 2006) (Yusof et al 2011), designated as C1, C2, C3 and C4 respectively. This study aims to analyse the similarity and dissimilarity of intermolecular interaction in crystal packing.…”

Section: Introductionmentioning

confidence: 99%

Hirshfeld Surface Investigation of Intermolecular Interaction of N-Aroyl-N’-(2-pyridyl)thiourea Derivatives

Draman¹

2021

ASMScJ

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A detailed analysis of the intermolecular interactions of the crystalline structure of thiourea derivatives namely 1-(3-Methylbenzoyl)-3-(6-methyl-2-pyridyl)-thiourea, N-(2-Furoyl)-N’-(6-methyl-2-pyridyl)thiourea, 2-Methyl-N-[(3-methyl-2-pyridyl)-carbamothioyl]benzamide and 1-(4-Chlorobenzoyl)-3-(3-methylpyridin-2-yl)thiourea have been performed based on the Hirshfeld surfaces and their associated two-dimensional fingerprint plots. The result showed that the structures were stabilized by H···H, H···S, O···H, N···H, C–H···π, and π···π intermolecular interactions, which contribute mostly to the packing of the species in the crystal. The three largest contributions to the packing of the molecules in the crystals were provided by H···H, C–H···S and C··· H intermolecular interactions.

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“…N-benzoyl-N'-phenylthiourea derivatives stabilized by intramolecular HB (O … H-N) that form pseudo-six membered ring. Thus, adopt trans-cis conformation across the thiourea moieties that have been experimentally and theoretically studied [6][7][8][9][10] but N-Benzoyl-N'- (2-pyridyl)thiourea derivatives can form O … H-N and N … H-N intramolecular HB leads to trans-cis [11][12][13][14] and cis-trans [15][16][17][18] conformation respectively and both producing pseudo-six membered ring. However, cis-trans conformations are very rare.…”

Section: Introductionmentioning

confidence: 99%