Speculative assessment, molecular composition, PDOS, topology exploration (ELF, LOL, RDG), ligand-protein interactions, on 5-bromo-3-nitropyridine-2-carbonitrile
نویسندگان
چکیده
منابع مشابه
8-Bromo-3-(cyclopropanylcarbonyl)-5-methylindolizine-1-carbonitrile
The asymmetric unit of the title compound, C(14)H(11)BrN(2)O, contains three independent mol-ecules with very similar geometries. The dihedral angles between the side chain of the cyclo-propyl plane and the five-membered ring to which it is attached are 55.0 (2), 58.1 (2) and 60.2 (3)° for the three mol-ecules. Each mol-ecule forms an intra-molecular C-H⋯O hydrogen bond.
متن کاملFT-Raman, FTIR spectra and normal coordinate analysis of 5-bromo-2-nitropyridine
The Fourier Transform-Raman and Fourier Transform-Infrared spectra of 5-bromo-2-nitropyridine have been recorded. The observed frequencies were assigned to various modes of vibrations on the basis of normal coordinate calculations, assuming CS point group symmetry. The potential energy distribution associated with normal modes is also reported here. The assignment of fundamental vibrations agre...
متن کامل(E)-3-Bromo-N′-(5-bromo-2-hydroxybenzylidene)benzohydrazide
The title compound, C(14)H(10)Br(2)N(2)O(2), was synthesized by the reaction of 5-bromo-salicylaldehyde with an equimolar quantity of 3-bromo-benzohydrazide in methanol. The dihedral angle between the two benzene rings is 10.5 (4)°. In the crystal structure, mol-ecules are linked through inter-molecular N-H⋯O hydrogen bonds to form chains parallel to the c axis, and an intra-molecular O-H⋯N int...
متن کاملMethyl 5-bromo-2-chloropyridine-3-carboxylate
The title compound, C(7)H(5)BrClNO(2), crystallizes with two independent molecules in the asymmetric unit. In the absence of classical inter-molecular inter-actions, the crystal structure exhibits relatively short inter-molecular Br⋯O distances [3.143 (9) and 3.162 (9)Å].
متن کامل3-Bromo-5-tert-butyl-2-hydroxybenzaldehyde
The mol-ecular conformation of the title compound, C(11)H(13)BrO(2), is stabilized by an intra-molecular O-H⋯O hydrogen bond. All non-H atoms except the methyl groups lie approximately in a common plane (r.m.s. deviation = 0.011 Å).
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
ژورنال
عنوان ژورنال: Heliyon
سال: 2021
ISSN: 2405-8440
DOI: 10.1016/j.heliyon.2021.e07061