Crystal structure of (1-methyl-3-(trifluoromethyl)-1<i>H</i>-pyrazol-4-yl)(4-((2-methyl-6-(trifluoromethyl)pyrimidin-4-yl)amino)piperidin-1-yl)methanone, C<sub>17</sub>H<sub>18</sub>F<sub>6</sub>N<sub>6</sub>O
نویسندگان
چکیده
Abstract C 17 H 18 F 6 N O, monoclinic, P 2 1 / n (no. 14), a = 9.9491(11) Å, b 18.1523(17) c 11.7703(15) β 113.473(14)°, V 1949.8(4) Å 3 , Z 4, R gt ( ) 0.0606, wR ref 0.1876, T 169.99(10) K.
منابع مشابه
2-(4-Chlorophenyl)-4-[1-(4-chlorophenyl)-3-methyl-1H-pyrazol-5-yl]-5-methyl-1H-pyrazol-3(2H)-one
The title compound, C(20)H(16)Cl(2)N(4)O, has two mol-ecules in the asymmetric unit. The two five-membered rings form a dihedral angle of 54.2 (3)° in one mol-ecule and 56.8 (3)° in the other independent mol-ecule. The amino group of the dihydro-pyrazolone unit of one mol-ecule acts as a hydrogen-bond donor to the carbonyl group of the dihydro-pyrazolone system of the other mol-ecule. The resul...
متن کاملCrystal structure of 4-[(2,4-dichlorophenyl)(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)methyl]-5-methyl-2-phenyl-2,3-dihydro-1H-pyrazol-3-one
In the title compound C27H22Cl2N4O2, the pyrazol-5-ol ring makes a dihedral angle of 34.80 (11)° with the phenyl ring to which it is bound, while the pyrazolone ring is inclined at 34.34 (12)° to its attached phenyl ring. In the crystal, N-H⋯O and C-H⋯Cl hydrogen bonds link the mol-ecules into chains along [010]. Inter-molecular π-π inter-actions are observed between the pyrazolone ring and the...
متن کامل4-(4-Chloro-5-methyl-3-trifluoromethyl-1H-pyrazol-1-yl)-6-(prop-2-ynyloxy)pyrimidine
The molecule of the title compound, C(12)H(8)ClF(3)N(4)O, is twisted as indicated by the C-O-C-C torsion angle of 76.9 (3)°. Moreover, the trifluoro-methyl group shows rotational disorder of the F atoms, with site-occupancy factors of 0.653 (6) and 0.347 (6). The dihedral angle between the rings is 1.88 (12) Å.
متن کاملEthyl 4-(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
In the title compound, C(18)H(19)ClN(4)O(3), the dihydro-pyrimidin-one ring adopts a flattened boat conformation. The dihedral angle between the phenyl and pyrazole rings is 43.39 (6)°. An intra-molecular C-H⋯O contact generates an S(8) ring motif that stabilizes the mol-ecular conformation and precludes the carbonyl O atom of the ester group from forming inter-molecular inter-actions. Mol-ecul...
متن کامل4-(4-Bromo-3-methyl-1H-pyrazol-1-yl)-6-(but-3-ynyloxy)pyrimidine
There are two mol-ecules in the asymmetric unit of the title compound, C(12)H(11)BrN(4)O. The dihedral angles between the pyrazole and pyrimidine rings are 1.28 (17) and 1.56 (17)° in the two mol-ecules. In one of the mol-ecules, the but-3-yn-yloxy side chain is disordered over two sets of sites in a 0.714 (8):0.286 (8) ratio.
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: Zeitschrift Fur Kristallographie-new Crystal Structures
سال: 2023
ISSN: ['2197-4578', '1433-7266']
DOI: https://doi.org/10.1515/ncrs-2023-0265