Ethyl 2-amino-4,6-bis(4-fluorophenyl)cyclohexa-1,3-diene-1-carboxylate
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منابع مشابه
Ethyl 2-amino-6-(4-bromophenyl)-4-(4-fluorophenyl)cyclohexa-1,3-diene-1-carboxylate
In the title compound, C21H19BrFNO2, two independent mol-ecules crystallize in the asymmetric unit. The cyclo-hexa-1,3-diene ring is in a slightly distorted screw-boat conformation. The dihedral angles between the mean planes of the 4-bromo-phenyl and 4-fluoro-phenyl rings are 81.0 (3) and 76.4 (2)° in the two independent mol-ecules. In the crystal, N-H⋯O hydrogen bonds link the molecules into ...
متن کاملEthyl 2-amino-4,6-bis(4-fluorophenyl)cyclohexa-1,3-diene-1-carboxylate
In the title compound, C(21)H(19)F(2)NO(2), the cyclo-hexa-1,3-diene ring is in a distorted envelope conformation. The dihedral angles between the mean planes of the diene moiety and the two fluoro-phenyl rings are 42.8 (2) and 75.0 (5)°. The two fluoro-phenyl rings are inclined to one another by 87.0 (3)°. In the crystal, intra-molecular N-H⋯O hydrogen bonds and weak N-H⋯O and N-H⋯F inter-mole...
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The structure of ethyl 2-amino-4-tert-butyl-1,3-thiazole-5carboxylate, C10H16N2O2S, (I), and the structure of the 1:1 adduct 6-methylimidazo[2,1-b]thiazole±2-amino-1,3-thiazole (1/1), C6H6N2S C3H4N2S, (II), have been determined. The molecules in (I) associate via a hydrogen-bonded R2(8) dimer consisting of NÐH N interactions, with the hydrogenbonding array additionally involving NÐH O interacti...
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In the mol-ecule of the title compound, C(11)H(12)ClN(3)O(3), the five membered ring adopts an envelope conformation. In the crystal structure, inter-molecular N-H⋯O hydrogen bonds link the mol-ecules into centrosymmetric dimers.
متن کاملAb Initio Study of Conformational and Configurational Properties of 1, 3- Diazacyclohepta-1, 2-diene and 1, 3-Diazacycloocta-1, 2-diene
Ab initio calculations at HF/6-31G* level of theory for geometry optimization and MP2/6-31G*//HF/6-31G* for a single point total energy calculation are reported for the importantenergy-minimum conformations and transition-state geometries of 1, 3-diazacyclohepta-1, 2-diene (2) and 1, 3-diazacycloocta-1, 2-diene (3). The C2 symmetric twist-chair (2-TC)conformation of 2 is calculated to be 7.4 kJ...
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ژورنال
عنوان ژورنال: Acta Crystallographica Section E Structure Reports Online
سال: 2012
ISSN: 1600-5368
DOI: 10.1107/s160053681200373x