In general, if the atoms that make up the ring contain heteroatoms, such rings become heterocycles, and organic compounds containing heterocycles are called heterocyclic compounds. An article called Gas electron diffraction and quantum chemical study of the structure of a 2-nitrobenzenesulfonyl chloride molecule, published in 2011-08-31, which mentions a compound: 148-51-6, Name is 5-(hydroxymethyl)-2,4-dimethylpyridin-3-ol hydrochloride, Molecular C8H12ClNO2, Recommanded Product: 5-(hydroxymethyl)-2,4-dimethylpyridin-3-ol hydrochloride.
A combined gas electron diffraction and quantum chem. (B3LYP/6-311+G**, B3LYP/cc-pVTZ, B3LYP/cc-pVTZ, midix (Cl), and MP2/cc-pVTZ) study of the structure of a 2-NO2-C6H4-SO2Cl mol. is performed. It is found exptl. that at a temperature of 345(5) K the gas phase contains two conformers of the C 1 symmetry. Conformer I with a nearly perpendicular arrangement of the S-Cl bond with respect to the benzene ring plane (the C(NO2)-C-S-Cl torsion angle is 84(3)°) is contained predominantly (69(12)%). In conformer II, the S-Cl bond is located near the benzene ring plane (the C(NO2)-C-S-Cl angle is 172(3)°). The following exptl. internuclear distances (Å) are obtained for conformer I: rh1(C-H) = 1.064(15), rh1(C-C)av = 1.397(3), rh1(C-S) = 1.761(6), rh1(S-O)av = 1.426(4), rh1(S-Cl) = 2.043(5), rh1(N-O)av = 1.222(4), rh1(C-N) = 1.485(16). In both conformers, the NO2 group is turned by more than 30° relative to the benzene ring plane.
From this literature《Gas electron diffraction and quantum chemical study of the structure of a 2-nitrobenzenesulfonyl chloride molecule》,we know some information about this compound(148-51-6)Recommanded Product: 5-(hydroxymethyl)-2,4-dimethylpyridin-3-ol hydrochloride, but this is not all information, there are many literatures related to this compound(148-51-6).
Reference:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia