Descriptors for Pentane-2,4-dione and Its Derivatives
نویسندگان
چکیده
منابع مشابه
Descriptors for Pentane-2,4-dione and Its Derivatives
We have used equations for partition coefficients of compounds from water and the gas phase to various solvents to obtain descriptors for pentane-2,4-dione and 21 of its derivatives. These descriptors can then be used to estimate further partition coefficients into a wide variety of solvents. The descriptors also yield information about the properties of pentane-2,4-dione and its derivatives. P...
متن کامل3-(3-Nitrobenzylidene)pentane-2,4-dione
In the title mol-ecule, C(12)H(11)NO(4), the two acetyl C-C=O planes are inclined to the benzene ring at angles of 18.03 (8) and 80.75 (7)°. In the crystal, adjacent mol-ecules are linked into centrosymmetric dimers by pairs of C-H⋯O inter-actions.
متن کامل3-(Pyridin-4-ylthio)pentane-2,4-dione
In the title compound, C(10)H(11)NO(2)S, the acetyl-acetone group crystallizes in the keto form with all the non-hydrogen atoms in the acetyl-acetone group approximately co-planar with a maximum atomic deviation 0.055 (2) Å; the dihedral angle between the acetyl-acetone group and the pyridine ring is 85.90 (6)°. An intra-molecular O-H⋯O hydrogen bond involving the acetyl-acetone group forms a s...
متن کامل1,5-Bis(4-chlorophenyl)-3-(2-thienyl)pentane-1,5-dione
In the title mol-ecule, C(21)H(16)Cl(2)O(2)S, the five-membered ring is rotationally disordered between two orientations in a 1:1 ratio. In the crystal structure, weak inter-molecular C-H⋯O hydrogen bonds link mol-ecules related by translation along the a axis into chains, which are further combined into layers parallel to the bc plane via C-H⋯π inter-actions. The crystal studied was a racemic ...
متن کامل1,5-Bis(4-chlorophenyl)-3-(4-methylphenyl)pentane-1,5-dione
In the title mol-ecule, C24H20Cl2O2, the central methyl-benzene ring forms dihedral angles of 42.47 (10) and 34.34 (10)° with the terminal 4-chloro-phenyl fragments. The dihedral angle between the chloro-benzene rings is 34.45 (11)°. A weak intra-molecular C-H⋯O inter-action generates an S(6) ring motif. The crystal packing exhibits weak C-H⋯O hydrogen bonds and C-H⋯π inter-actions.
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ژورنال
عنوان ژورنال: Journal of Solution Chemistry
سال: 2017
ISSN: 0095-9782,1572-8927
DOI: 10.1007/s10953-017-0667-y