Recently I am researching about HYDROGEN-BOND PATTERNS; GRAPH-SET ANALYSIS; ABSOLUTE-STRUCTURE; PHENYLPHOSPHONIC ACID; 4,4′-SULFONYLDIPHENOL; 4,4′-THIODIPHENOL; PIRIBEDIL; ADDUCTS, Saw an article supported by the UGC, New DelhiUniversity Grants Commission, India; UGCUniversity Grants Commission, India. Published in INT UNION CRYSTALLOGRAPHY in CHESTER ,Authors: Mahesha, N; Sagar, BK; Yathirajan, HS; Furuya, T; Haraguchi, T; Akitsu, T; Glidewell, C. The CAS is 385-00-2. Through research, I have a further understanding and discovery of 2,6-Difluorobenzoic acid. Computed Properties of C7H4F2O2
In each of the compounds 1-[(1,3-benzodioxol-5-yl)methyl]-4-(3-fluorobenzoyl)piperazine, C19H19 FN2O3 (I), 1-[(1,3-benzodioxol-5-yl)methyl]-4-(2,6-difluorobenzoyl)piperazine, C19H18F2N2O3 (II), and 1-[(1,3-benzodioxol-5-yl)methyl]-4-(2,4-dichlorobenzoyl)piperazine, C19H19Cl2N2O3 (III), the piperazine rings adopt a chair conformation with the (1,3-benzodioxol-5-yl)methyl substituent occupying an equatorial site: the five-membered rings are all slightly folded across the O center dot center dot center dot O line leading to envelope conformations. The dihedral angle between the planar amidic fragment and the haloaryl ring is 62.97 (5)degrees in (I) but 77.72 (12)degrees and 75.50 (5)degrees in (II) and (III), respectively. Despite their similarity in constitution and conformation, the supramolecular interactions in (I)-(III) differ: in (I), a combination of C-H center dot center dot center dot O and C-H center dot center dot center dot pi(arene) hydrogen bonds links the molecules into a three-dimensional framework structure, but there are no hydrogen bonds of any sort in either (II) or (III), although the structure of (III) contains a short Cl center dot center dot center dot Cl contact between inversion-related pairs of molecules.
Computed Properties of C7H4F2O2. Welcome to talk about 385-00-2, If you have any questions, you can contact Mahesha, N; Sagar, BK; Yathirajan, HS; Furuya, T; Haraguchi, T; Akitsu, T; Glidewell, C or send Email.
Reference:
Isothiazole – Wikipedia,
,Isothiazole – ScienceDirect.com