Redetermination of 3,5-dimethylphenol
نویسندگان
چکیده
The previous structure determination [Gillier-Pandraud et al. (1972 ▶). C. R. Acad. Sci. Ser. C, 275, 1495] of the title compound, C(8)H(10)O, did not report atomic coordinates. There are two mol-ecules in the asymmetric unit, A and B, which both show approximate non-crystallographic C(s) symmetry. The intra-cyclic C-C-C angles cover the range 118.74 (12)-121.76 (13)°. In the crystal, mol-ecules are linked by O-H⋯O hydrogen bonds, generating [001] C(2) (2)(4) chains such that mol-ecules A and B alternate. There is no aromatic π-π stacking in the crystal as the shortest centroid-centroid distance is greater than 4.74 Å.
منابع مشابه
2-{[(2-Hydroxy-3,5-dimethylbenzyl)(methyl)amino]methyl}-4,6-dimethylphenol
In the title compound, C(19)H(25)NO(2), the dihedral angle between the benzene rings is 53.15 (8)°. One of the -OH groups forms an intra-molecular O-H⋯N link, generating an S(6) ring. The other -OH group forms an inter-molecular O-H⋯N hydrogen bond in the crystal, generating centrosymmetric R(2) (2)(20) loops.
متن کاملMechanochemical synthesis and crystal structure of a 1:2 co-crystal of 1,3,6,8-tetraazatricyclo[4.3.1.13,8]undecane (TATU) and 4-chloro-3,5-dimethylphenol
Solvent-free treatment of 1,3,6,8-tetra-aza-tri-cyclo-[4.3.1.13,8]undecano (TATU) with 4-chloro-3,5-di-methyl-phenol led to the formation of the title co-crystal, C7H14N4·2C8H9ClO. The asymmetric unit contains one aminal cage mol-ecule and two phenol mol-ecules linked via two O-H⋯N hydrogen bonds. In the aminal cage, the N-CH2-CH2-N unit is slightly distorted from a syn periplanar geometry. Aro...
متن کاملRedetermination of the crystal structure of 3,5-dimethylpyrazolium β-octamolybdate tetrahydrate
The title compound, (C5H9N2)4[Mo8O26]·4H2O, was reported previously from a room-temperature data collection from which only the metal atoms could be refined anisotropically [FitzRoy et al. (1989 ▸). Inorg. Chim. Acta, 157, 187-194]. The current redetermination at 180 (2) K models all the non-H atoms with anisotropic displacement parameters and fully describes the supra-molecular N-H⋯O and O-H⋯O...
متن کاملrac-4-Chloro-2-[({2-[(3-chloro-6-hydroxy-2,4-dimethylbenzyl)(methyl)amino]propyl}(methyl)amino)methyl]-3,5-dimethylphenol
The title compound, C(23)H(32)Cl(2)N(2)O(2), a potential chiral ligand for coordination chemistry, was prepared by a two-step reaction. The mol-ecule is located on a crystallographic centre of inversion. As a result, the methyl group bonded to the methyl-ene group is disordered over two equally occupied positions, sharing the same site as the H atom of the chiral C atom. As a further consequenc...
متن کاملRedetermination of Crystal Structure of N,N'-bis (2-Hydroxybenzylidene)-2,2-Dimethyl-1,3-Propanediamine
The structure of N,N'-bis(2-hydroxybenzylidene)-2,2-dimethyl-1,3-propanediamine, C19H22N2O2, has been studied at low temperature (120K) by means of single-crystal X-ray diffraction. Solving the structure shows an orthorhombic unit cell, with P212121 space group, Z = 4, a = 6.1046 (4) Å, b = 15.8349 (11)</e...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
عنوان ژورنال:
دوره 67 شماره
صفحات -
تاریخ انتشار 2011