X-ray Charge-Dens Study of 5-Chloro-8-hydroxy-6-methyloaphthalene-l.4-dione: A Hydroxynaphthoquinone Derivative
نویسنده
چکیده مقاله:
The X-ray charge density analysis of a hydroxynaphthoquinnne derivative was obtained by multipolar Hansen-Coppens formalism refinement through high resolution X-ray diffraction data at 100(1) K. The molecularproperties of the title compound resulted from the combined experimental and the quantum theory of atoms inmolecules (QTAIM) studies. The topological properties of the covalent bonds and of the hydrogen bonds havebeen investigated.
منابع مشابه
x-ray charge-dens study of 5-chloro-8-hydroxy-6-methyloaphthalene-l.4-dione: a hydroxynaphthoquinone derivative
the x-ray charge density analysis of a hydroxynaphthoquinnne derivative was obtained by multipolar hansen-coppens formalism refinement through high resolution x-ray diffraction data at 100(1) k. the molecularproperties of the title compound resulted from the combined experimental and the quantum theory of atoms inmolecules (qtaim) studies. the topological properties of the covalent bonds and of...
متن کامل6-Chloro-8-methyl-4H-3,1-benzoxazine-2,4(1H)-dione
The two mol-ecules in the asymmetric unit of the title compound, C(9)H(6)ClNO(3), are nearly planar, with r.m.s. deviations of 0.034 and 0.037 Å. The crystal structure is stabilized by two weak inter-molecular N-H⋯O inter-actions.
متن کامل6-Chloro-1-methylindoline-2,3-dione
The title mol-ecule, C(9)H(6)ClNO(2), is essentially planar: the maximum deviation from the mean plane of the indoline ring is 0.020 (2) Å and the substituents do not deviate by more than 0.053 (2) Å from this plane. C-H⋯O hydrogen bonds help to consolidate the crystal structure.
متن کامل5-Chloro-8-hydroxy-6-methyl-1,4-naphthoquinone
The mol-ecule of the title compound, C(11)H(7)ClO(3), is planar, with a maximum deviation of 0.0383 (10) Å from the naphthoquinone plane. An intra-molecular O-H⋯O hydrogen bond generates an S(6) ring motif. The crystal packing is stabilized by inter-molecular C-H⋯O hydrogen bonds. Short intra-molecular Cl⋯O [2.8234 (8) Å] and O⋯O [2.5530 (11) Å], and inter-molecular Cl⋯Cl [3.2777 (3) Å] contact...
متن کاملChannel-forming solvates of 6-chloro-2,5-dihydroxypyridine and its solvent-free tautomer 6-chloro-5-hydroxy-2-pyridone.
On crystallization from CHCl3, CCl4, CH2ClCH2Cl and CHCl2CHCl2, 6-chloro-5-hydroxy-2-pyridone, C5H4ClNO2, (I), undergoes a tautomeric rearrangement to 6-chloro-2,5-dihydroxypyridine, (II). The resulting crystals, viz. 6-chloro-2,5-dihydroxypyridine chloroform 0.125-solvate, C5H4ClNO(2).0.125CHCl3, (IIa), 6-chloro-2,5-dihydroxypyridine carbon tetrachloride 0.125-solvate, C5H4ClNO(2)..0.125CCl4, ...
متن کامل6-Chloro-1-phenylindoline-2,3-dione: absolute structure, non-linear optical and charge-transport properties
In the title compound, C14H8ClNO2, the dihedral angle between the isatin moiety (r.m.s. deviation = 0.014 Å) and the phenyl ring is 51.8 (1)°. All mol-ecules have the same 'frozen chiral' conformation in the non-centrosymmetric P212121 space group. A polycrystalline sample of the title compound exhibits a considerable second-order non-linear optical effect (frequency doubling of 1064 nm light t...
متن کاملمنابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
ذخیره در منابع من قبلا به منابع من ذحیره شده{@ msg_add @}
عنوان ژورنال
دوره 7 شماره 2
صفحات 71- 76
تاریخ انتشار 2010-08-01
با دنبال کردن یک ژورنال هنگامی که شماره جدید این ژورنال منتشر می شود به شما از طریق ایمیل اطلاع داده می شود.
کلمات کلیدی
میزبانی شده توسط پلتفرم ابری doprax.com
copyright © 2015-2023