(Methyl (S)-3-(imidazol-4-yl)-2-{6-[(S)-2-(imidazol-4-yl)-1-(methoxycarbonyl)ethylaminocarbonyl]pyridine-2-carbonylamino}propionato)copper(II) methanol sesquisolvate
✍ Scribed by Räisänen, Minna T. ;Klinga, Martti ;Leskelä, Markku ;Repo, Timo
- Publisher
- International Union of Crystallography
- Year
- 2007
- Tongue
- English
- Weight
- 490 KB
- Volume
- 63
- Category
- Article
- ISSN
- 1600-5368
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✦ Synopsis
Data collection
Nonius KappaCCD diffractometer Absorption correction: multi-scan (SADABS; Sheldrick, 1996) T min = 0.772, T max = 0.839 23034 measured reflections 5867 independent reflections 4185 reflections with I > 2(I) R int = 0.064 Refinement R[F 2 > 2(F 2 )] = 0.045 wR(F 2 ) = 0.101 S = 0.92 5867 reflections 359 parameters 2 restraints H-atom parameters constrained Á max = 0.36 e A ˚À3 Á min = À0.50 e A ˚À3 Absolute structure: Flack (1983), 2561 Friedel pairs Flack parameter: À0.012 (16)
Table 1
Hydrogen-bond geometry (A ˚, ).
📜 SIMILAR VOLUMES
Treatment of deprotonated N,N 0 -bis-(4-methyl-2-benzothiazolyl)-2,6-pyridicarboxamide (L 2À ) with CuCl 2 Á2H 2 O yields the mononuclear title complex, CuL(H 2 O) or [Cu(C 23 H 15 N 5 -O 2 S 2 )(H 2 O)]. The Cu II atom adopts a distorted square-planar coordination geometry, binding to two deprotona
Single-crystal X-ray study T = 150 K Mean '(C±C) = 0.005 A Ê R factor = 0.031 wR factor = 0.080 Data-to-parameter ratio = 20.3 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.