The title compd. is orthorhombic, space group P212121, with a 15.595(2), b 18.672(4), and c 19.023(5) .ANG.; d.(calcd.) = 1.289 for Z = 4. Final R = 0.078 for 3172 reflections. At. coordinates are given. The mol. structure of the title complex closely resembles that of the parent cobyrinic acid heptamethyl ester. The corrin ring system is not C(11)] from the least-squares plane through the ring atoms, and the dihedral angles between the pyrrole rings lie in the range 7.5(3)-15.0(3). The replacement of the Me group on C(19) in the parent complex by an H atom in the title complex has little effect on the local geometry. The side chains show some disorder.
STRUCTURE OF DICYANO-15-NORCOBYRINIC ACID HEPTAMETHYL ESTER / A. R., Battersby; Grgurina, Ingeborg; P. R., Raithby; E., Egert; K., Harms; G. M., Sheldrick. - In: ACTA CRYSTALLOGRAPHICA. SECTION C, CRYSTAL STRUCTURE COMMUNICATIONS. - ISSN 0108-2701. - STAMPA. - 45:10(1989), pp. 1589-1593. [10.1107/s0108270189002969]
STRUCTURE OF DICYANO-15-NORCOBYRINIC ACID HEPTAMETHYL ESTER
GRGURINA, Ingeborg;
1989
Abstract
The title compd. is orthorhombic, space group P212121, with a 15.595(2), b 18.672(4), and c 19.023(5) .ANG.; d.(calcd.) = 1.289 for Z = 4. Final R = 0.078 for 3172 reflections. At. coordinates are given. The mol. structure of the title complex closely resembles that of the parent cobyrinic acid heptamethyl ester. The corrin ring system is not C(11)] from the least-squares plane through the ring atoms, and the dihedral angles between the pyrrole rings lie in the range 7.5(3)-15.0(3). The replacement of the Me group on C(19) in the parent complex by an H atom in the title complex has little effect on the local geometry. The side chains show some disorder.I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.
