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Title: Molybdenum enzyme model studies. Synthesis and structure of the oxo-bridged binuclear complex,. mu. -oxo-bis(oxo(2,2'-methyliminodiethanethiolato)molybdenum(V)), Mo/sub 2/O/sub 3/(NCH/sub 3/(C/sub 2/H/sub 4/S)/sub 2/)/sub 2/

Abstract

The complex ..mu..-oxo-bis(oxo(2,2'-methyliminodiethanethiolato)molybdenum(V)), Mo/sub 2/O/sub 3/(NCH/sub 3/(C/sub 2/H/sub 4/S)/sub 2/)/sub 2/, has been synthesized and its crystal structure has been determined from three-dimensional x-ray diffractometer data. The crystals are monoclinic, space group P2/sub 1//c, with four molecules in a cell having parameters ..cap alpha.. = 14.849 (2), b = 7.956 (2), c = 15.861 (2) A,..beta.. = 90.97 (2)/sup 0/. and Z = 4. Full-matrix least-squares refinement using 1488 observed and 54 unobserved intensities (Mo K..cap alpha.. radiation) has yielded a conventional R factor of 0.049. The asymmetric unit consists of halves of two independent molecules of Mo/sub 2/O/sub 3/(NCH/sub 3/(C/sub 2/H/sub 4/S)/sub 2/)/sub 2/ located on crystallographic centers of symmetry. Disorder of the three carbons around each nitrogen atom, representing alternate conformations of the chelate rings, has been found. The configuration of the molecule is that of two distorted trigonal bipyramids centrosymmetrically connected through the central, bridging oxygen. The terminal oxygen and two sulfur atoms of each half molecule form a trigonal plane, and the nitrogen atom is trans to the bridging oxygen atom. The average Mo--O(terminal), Mo--O(bridge), Mo--N, Mo--S bond distances are 1.667 (8), 1.858 (1), 2.233 (10), and 2.346 (3) A, respectively. This is the first knownmore » five-coordinate complex of the Mo/sub 2/O/sub 3//sup 4 +/ unit with a ligand containing sulfur. 6 tables, 5 figures, 37 references.« less

Authors:
; ;
Publication Date:
Research Org.:
Tulane Univ., New Orleans
OSTI Identifier:
6651423
Alternate Identifier(s):
OSTI ID: 6651423
Resource Type:
Journal Article
Journal Name:
J. Am. Chem. Soc.; (United States)
Additional Journal Information:
Journal Volume: 100:13
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY; ENZYMES; MOLECULAR STRUCTURE; MOLYBDENUM COMPLEXES; ORGANIC SULFUR COMPOUNDS; BOND ANGLE; BOND LENGTHS; CRYSTAL STRUCTURE; SYNTHESIS; X-RAY DIFFRACTION; COHERENT SCATTERING; COMPLEXES; DIFFRACTION; ORGANIC COMPOUNDS; SCATTERING; TRANSITION ELEMENT COMPLEXES 400301* -- Organic Chemistry-- Chemical & Physicochemical Properties-- (-1987)

Citation Formats

Tsao, Y.Y.P., Fritchie, C.J. Jr., and Levy, H.A. Molybdenum enzyme model studies. Synthesis and structure of the oxo-bridged binuclear complex,. mu. -oxo-bis(oxo(2,2'-methyliminodiethanethiolato)molybdenum(V)), Mo/sub 2/O/sub 3/(NCH/sub 3/(C/sub 2/H/sub 4/S)/sub 2/)/sub 2/. United States: N. p., 1978. Web. doi:10.1021/ja00481a017.
Tsao, Y.Y.P., Fritchie, C.J. Jr., & Levy, H.A. Molybdenum enzyme model studies. Synthesis and structure of the oxo-bridged binuclear complex,. mu. -oxo-bis(oxo(2,2'-methyliminodiethanethiolato)molybdenum(V)), Mo/sub 2/O/sub 3/(NCH/sub 3/(C/sub 2/H/sub 4/S)/sub 2/)/sub 2/. United States. doi:10.1021/ja00481a017.
Tsao, Y.Y.P., Fritchie, C.J. Jr., and Levy, H.A. Wed . "Molybdenum enzyme model studies. Synthesis and structure of the oxo-bridged binuclear complex,. mu. -oxo-bis(oxo(2,2'-methyliminodiethanethiolato)molybdenum(V)), Mo/sub 2/O/sub 3/(NCH/sub 3/(C/sub 2/H/sub 4/S)/sub 2/)/sub 2/". United States. doi:10.1021/ja00481a017.
@article{osti_6651423,
title = {Molybdenum enzyme model studies. Synthesis and structure of the oxo-bridged binuclear complex,. mu. -oxo-bis(oxo(2,2'-methyliminodiethanethiolato)molybdenum(V)), Mo/sub 2/O/sub 3/(NCH/sub 3/(C/sub 2/H/sub 4/S)/sub 2/)/sub 2/},
author = {Tsao, Y.Y.P. and Fritchie, C.J. Jr. and Levy, H.A.},
abstractNote = {The complex ..mu..-oxo-bis(oxo(2,2'-methyliminodiethanethiolato)molybdenum(V)), Mo/sub 2/O/sub 3/(NCH/sub 3/(C/sub 2/H/sub 4/S)/sub 2/)/sub 2/, has been synthesized and its crystal structure has been determined from three-dimensional x-ray diffractometer data. The crystals are monoclinic, space group P2/sub 1//c, with four molecules in a cell having parameters ..cap alpha.. = 14.849 (2), b = 7.956 (2), c = 15.861 (2) A,..beta.. = 90.97 (2)/sup 0/. and Z = 4. Full-matrix least-squares refinement using 1488 observed and 54 unobserved intensities (Mo K..cap alpha.. radiation) has yielded a conventional R factor of 0.049. The asymmetric unit consists of halves of two independent molecules of Mo/sub 2/O/sub 3/(NCH/sub 3/(C/sub 2/H/sub 4/S)/sub 2/)/sub 2/ located on crystallographic centers of symmetry. Disorder of the three carbons around each nitrogen atom, representing alternate conformations of the chelate rings, has been found. The configuration of the molecule is that of two distorted trigonal bipyramids centrosymmetrically connected through the central, bridging oxygen. The terminal oxygen and two sulfur atoms of each half molecule form a trigonal plane, and the nitrogen atom is trans to the bridging oxygen atom. The average Mo--O(terminal), Mo--O(bridge), Mo--N, Mo--S bond distances are 1.667 (8), 1.858 (1), 2.233 (10), and 2.346 (3) A, respectively. This is the first known five-coordinate complex of the Mo/sub 2/O/sub 3//sup 4 +/ unit with a ligand containing sulfur. 6 tables, 5 figures, 37 references.},
doi = {10.1021/ja00481a017},
journal = {J. Am. Chem. Soc.; (United States)},
number = ,
volume = 100:13,
place = {United States},
year = {1978},
month = {6}
}