Premium
The Crystal and Molecular Structure of 11,12‐dibromo‐ 7,8—benzo‐1,5‐di(p—tolylsulphonyl)‐1,5‐diazacyclononan
Author(s) -
Öztürk S.,
Is�k S.,
Fun H.K.,
Agar E.,
Sasmaz S.,
Büyükgüngör O.
Publication year - 2000
Publication title -
crystal research and technology
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.377
H-Index - 64
eISSN - 1521-4079
pISSN - 0232-1300
DOI - 10.1002/1521-4079(200009)35:9<1125::aid-crat1125>3.0.co;2-d
Subject(s) - monoclinic crystal system , dihedral angle , crystallography , ring (chemistry) , crystal structure , chemistry , crystal (programming language) , group (periodic table) , atom (system on chip) , diffraction , stereochemistry , molecule , physics , hydrogen bond , optics , organic chemistry , computer science , programming language , embedded system
The crystal structure of the title compound, C 25 H 26 Br 2 N 2 O 4 S 2 was determined by single crystal X‐ray diffraction technique. The crystals are monoclinic, space group C 2/c, with a=20.7142(2) Å b=11.7910(2) Å, c= 10.6735(3) Å, β=98.549(2)°, V=2577.94(9) Å 3 , Z=4. The structure was solved by direct methods and refined by least‐squares methods to a final R=0.046 for 1866 observed reflections with I>2sigma(I). The title compound, displays disordered geometry around the C1 atom located almost on twofold axis. The nine‐membered heterocylic ring is close to the half‐chair conformation. The dihedral angle between phenyl rings is 34.2(1)°.