Structure of 7-ethylamino-6-methyl-4-trifluoromethylcoumarin


Autoria(s): Chinnakali, K; Sivakumar, K; Natarajan, S; Mathews, II
Data(s)

15/02/1992

Resumo

C13H12F3NO2, M(r) = 271.2, triclinic, P1BAR, a = 5.029 (2), b = 7.479 (2), c = 17.073 (5) angstrom, alpha = 97.98 (2), beta = 95.54 (3), gamma = 103.62 (3)-degrees, V = 612.4 (4) angstrom 3, Z = 2, D(m) = 1.463, D(x) = 1.471 g cm-3, lambda(Mo K-alpha) = 0.71069 angstrom, mu = 1.23 cm-1, F(000) = 280, T = 298 K, final R value is 0.041 for 2047 observed reflections with \F(omicron)\ greater-than-or-equal-to 6-sigma(\F(omicron)\). The N-C(sp2) bond length is 1.356 (2) angstrom. The N and C atoms of the ethylamino group deviate by < 0.15 angstrom from the plane of the aromatic ring. Short intramolecular contacts, C(3)...F(17) 2.668 (3) angstrom [H(3)...F(17) 2.39 (2) angstrom, C(3)-H(C3)...F(17) 98 (1)-degrees], C(5)...F(18) 3.074 (3) and C(5)...F(19) 3.077 (3) angstrom exist in the structure. The crystal structure is stabilized by intermolecular N-H...O hydrogen bonds with N(12)-H(N12) 0.79 (3), H(N12)...O(11)' 2.36 (3), N(12)...O(11)' (x - 1, y + 1, z) 3.105 (3) angstrom and N(12)-H(N12)...O(11)' 155 (2)-degrees.

Formato

application/pdf

Identificador

http://eprints.iisc.ernet.in/37662/1/Structure_of_7-Ethylamino-6-.pdf

Chinnakali, K and Sivakumar, K and Natarajan, S and Mathews, II (1992) Structure of 7-ethylamino-6-methyl-4-trifluoromethylcoumarin. In: Acta Crystallographica Section C (48). pp. 386-387.

Publicador

International Union of Crystallography

Relação

http://scripts.iucr.org/cgi-bin/paper?mu0271

http://eprints.iisc.ernet.in/37662/

Palavras-Chave #Inorganic & Physical Chemistry
Tipo

Journal Article

PeerReviewed