The Crystal and Molecular Structure of 3-Methyl-5-p-methylbenzylidene-2-selenohydantoin

• Published in: Phosphorus, sulfur, and silicon and the related elements Vol. 178; no. 2; pp. 261 - 268
• Main Authors: Żesławska, E., Oleksyn, B. J., Korohoda, M. J., Stadnicka, K.
• Format: Journal Article
• Language: English
• Published: Taylor & Francis Group 01-02-2003
• Subjects: Crystal Structure; Hydantoin; Hydrogen Bonding; Selenoorganic Compounds
• ISSN: 1042-6507; 1563-5325
• DOI: 10.1080/10426500307936

The X-ray structure analysis of a single crystal of 3-methyl-5-p-methylbenzylidene-2-selenohydantoin was carried out. The crystals are monoclinic, space group P2 1 /c, with a = 5.244(1) Å, b = 19.402(2) Å, c = 11.606(1) Å, g = 94.64(1)°;, Z = 4. The molecule is a Z-isomer. The overall conformation is not exactly planar, the angle between the hydantoin and p-methylphenyl planes is 11.8(1)°;. The packing of the molecules in the unit cell can be described as an arrangement of molecular chains which interact with each other via weak-hydrogen bonds, C--H·;·;·;O. The chains consist of dimers in which molecules are linked together by two symmetry-equivalent hydrogen bonds, N--H·;·;·;Se, that form accros inversion centres. The dimers interact also via weak hydrogen bonds, C--H·;·;·;O, between methyl groups and carbonyls of molecules related by another inversion centres.