Crystal structure determination of Efavirenz
Journal Article
·
· AIP Conference Proceedings
- College of Environmental Science on Engineering Babes Bolyai University, 30 Fantanele, 400294 Cluj Napoca (Romania)
Needle-shaped single crystals of the title compound, C{sub 14}H{sub 9}ClF{sub 3}NO{sub 2}, were obtained from a co-crystallization experiment of Efavirenz with maleic acid in a (1:1) ratio, using methanol as solvent. Crystal structure determination at room temperature revealed a significant anisotropy of the lattice expansion compared to the previously reported low-temperature structure. In both low- and room temperature structures the cyclopropylethynyl fragment in one of the asymmetric unit molecules is disordered. While at low-temperature only one C atom exhibits positional disorder, at room temperature the disorder is present for two C atoms of the cyclopropane ring.
- OSTI ID:
- 22494487
- Journal Information:
- AIP Conference Proceedings, Vol. 1700, Issue 1; Conference: PIM 2015: 10. international conference on processes in isotopes and molecules, Cluj-Napoca (Romania), 23-25 Sep 2015; Other Information: (c) 2015 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA); ISSN 0094-243X
- Country of Publication:
- United States
- Language:
- English
Similar Records
Conductive molecular crystals, structural, magnetic, and charge-transport properties of (5,10,15,20-tetramethylporphyrinato)nickel(II) iodide
Molecular and crystal structure of bis-quinolizidine immonium salts, II:. delta. /sup 1(6)/-dehydrosparteinium monoperchlorate
X-ray diffraction measurement of cosolvent accessible volume in rhombohedral insulin crystals
Journal Article
·
Wed May 04 00:00:00 EDT 1983
· J. Am. Chem. Soc.; (United States)
·
OSTI ID:22494487
+2 more
Molecular and crystal structure of bis-quinolizidine immonium salts, II:. delta. /sup 1(6)/-dehydrosparteinium monoperchlorate
Journal Article
·
Tue Apr 01 00:00:00 EST 1986
· J. Crystallogr. Spectrosc. Res.; (United States)
·
OSTI ID:22494487
+1 more
X-ray diffraction measurement of cosolvent accessible volume in rhombohedral insulin crystals
Journal Article
·
Thu Aug 31 00:00:00 EDT 2017
· Journal of Structural Biology
·
OSTI ID:22494487