Crystal structure of (5R,1S′)-5-(1-N,N-dibenzyl-amino)ethyl)-2(3H)-4,5-dihydrofuranone, CH(CH 2 ) 2 COOCHCH 3 NCH 2 (C 6 H 5 )CH 2 (C 6 H 5 )

Crystal structure of (5R,1S′)-5-(1-N,N-dibenzyl-amino)ethyl)-2(3H)-4,5-dihydrofuranone, CH(CH 2... © by R. Oldenbourg Verlag, München 1993 Zeitschrift für Kristallographie 208, 154- 156 (1993) 0044-2968/93 $3.00 Crystal structure of (5R,lS')-5-[l-N,N-dibenzylamino)ethyl]-2(3H)-4,5-dihydrofuranone, CH(CH2)2COOCHCH3NCH2(C6H5)CH2(C6H5) S. Hormuth, H. -U. Reißig, S. Foro and H. J. Lindner Institut für Organische Chemie, Technische Hochschule Darmstadt, Petersenstr. 22, D-64287 Darmstadt, Germany (Received April 23, 1993) Source of material: see réf. 1. The compound is of interest as precursor of protease inhibitors. All geometrically positioned. hydrogen atoms are Orthorhombic, P2\2\2\ (No. 19), a 8.324(3) k,b 9.049(1) À, c 23.328(5) Â, V= 1757.2 Â3, 4, R 0.049. Dibenzyl-aminoethyl-(3H)-dihydrofuranone Table 1. Parameters used for the Diffractometer X-ray data collection Criterion for unobserved reflections: Number of refined Enraf-Nonius CAD4 Mo K« radiation F0 < 2 o(Fo) type: Wave length: (0.7107 Â) Crystal characteristics: colourless needle, size 0.30x0.13 x0.75 mm 297 parameters: Scan mode: /2 0.70 cm" SFfELX Temperature of measurement: µ: Structure solution program used: Number of unique reflections: 46° 1647 Table 2. Final atomic coordinates and Aloni displacement parameters (in Â2) U¡so/Uii U22 0.054(2 ) 0.046(3 ) U33 0.067(2) 0.064(3) U12 -0.006(2) -0.002(3 ) -0.007(3) 0.003(3 ) 0.001(3) -0.002(3 ) 0.007(2 ) 0.007(2) 0.005(3) U13 -0.002(2) 43.003(3) 43.010(3) 0.000(3) -0.001(3) U23 0.003(2) -0.002(2) 0.005(3) -0.007(3) -0.000(3) -0.2299(4) -0.1182(6) http://www.deepdyve.com/assets/images/DeepDyve-Logo-lg.png Zeitschrift für Kristallographie - Crystalline Materials de Gruyter

Crystal structure of (5R,1S′)-5-(1-N,N-dibenzyl-amino)ethyl)-2(3H)-4,5-dihydrofuranone, CH(CH 2 ) 2 COOCHCH 3 NCH 2 (C 6 H 5 )CH 2 (C 6 H 5 )

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Publisher
de Gruyter
Copyright
Copyright © 1993 by the
ISSN
2194-4946
eISSN
2196-7105
DOI
10.1524/zkri.1993.208.Part-1.154
Publisher site
See Article on Publisher Site

Abstract

© by R. Oldenbourg Verlag, München 1993 Zeitschrift für Kristallographie 208, 154- 156 (1993) 0044-2968/93 $3.00 Crystal structure of (5R,lS')-5-[l-N,N-dibenzylamino)ethyl]-2(3H)-4,5-dihydrofuranone, CH(CH2)2COOCHCH3NCH2(C6H5)CH2(C6H5) S. Hormuth, H. -U. Reißig, S. Foro and H. J. Lindner Institut für Organische Chemie, Technische Hochschule Darmstadt, Petersenstr. 22, D-64287 Darmstadt, Germany (Received April 23, 1993) Source of material: see réf. 1. The compound is of interest as precursor of protease inhibitors. All geometrically positioned. hydrogen atoms are Orthorhombic, P2\2\2\ (No. 19), a 8.324(3) k,b 9.049(1) À, c 23.328(5) Â, V= 1757.2 Â3, 4, R 0.049. Dibenzyl-aminoethyl-(3H)-dihydrofuranone Table 1. Parameters used for the Diffractometer X-ray data collection Criterion for unobserved reflections: Number of refined Enraf-Nonius CAD4 Mo K« radiation F0 < 2 o(Fo) type: Wave length: (0.7107 Â) Crystal characteristics: colourless needle, size 0.30x0.13 x0.75 mm 297 parameters: Scan mode: /2 0.70 cm" SFfELX Temperature of measurement: µ: Structure solution program used: Number of unique reflections: 46° 1647 Table 2. Final atomic coordinates and Aloni displacement parameters (in Â2) U¡so/Uii U22 0.054(2 ) 0.046(3 ) U33 0.067(2) 0.064(3) U12 -0.006(2) -0.002(3 ) -0.007(3) 0.003(3 ) 0.001(3) -0.002(3 ) 0.007(2 ) 0.007(2) 0.005(3) U13 -0.002(2) 43.003(3) 43.010(3) 0.000(3) -0.001(3) U23 0.003(2) -0.002(2) 0.005(3) -0.007(3) -0.000(3) -0.2299(4) -0.1182(6)

Journal

Zeitschrift für Kristallographie - Crystalline Materialsde Gruyter

Published: Jan 1, 1993

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