3-Hydroxy-2,2-bis(1 H -pyrazol-1-yl)cyclopentanone (original) (raw)
2012, Acta Crystallographica Section E Structure Reports Online
Key indicators: single-crystal X-ray study; T = 295 K; mean (C-C) = 0.003 Å; R factor = 0.046; wR factor = 0.124; data-to-parameter ratio = 15.6.
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Key indicators: single-crystal X-ray study; T = 293 K; mean (C-C) = 0.004 Å; R factor = 0.047; wR factor = 0.141; data-to-parameter ratio = 12.9.
Acta crystallographica. Section E, Structure reports online, 2014
The title compound, C 18 H 14 Cl 2 N 2 O 2 , crystallizes with two molecules, A and B, in the asymmetric unit. In molecule A, the dihedral angles between the central pyrazole ring and pendant dichlorobenzene and p-tolyl rings are 2.18 (16) and 46.78 (16) , respectively. In molecule B, the equivalent angles are 27.45 (16) and 40.45 (18) , respectively. Each molecule features an intramolecular O-HÁ Á ÁO hydrogen bond, which closes an S(6) ring and molecule A also features a C-HÁ Á ÁO interaction. In the crystal, weak C-HÁ Á Á interactions and aromaticstacking [shortest centroid-centroid separation = 3.707 (2) Å ] generate a three-dimensional network.
Crystal structure of 4-[1-(2-hydroxypropyl)-4,5-diphenyl-1 H -imidazol-2-yl]benzoic acid
Acta Crystallographica Section E Crystallographic Communications, 2015
In the title compound, C 25 H 22 N 2 O 3 , the central imidazole ring makes dihedral angles of 48.43 (10), 20.23 (10) and 75.38 (11) with the benzene ring and the two phenyl rings, respectively. The phenyl ring adjacent to the N-bonded 2-hydroxypropyl group shows the greatest twist, presumably to minimize steric interactions. In the crystal, molecules are linked by O-HÁ Á ÁN, O-HÁ Á ÁO and C-HÁ Á ÁO hydrogen bonds, forming a threedimensional network. In addition, C-HÁ Á Á interactions are also observed.
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