X-ray analysis of 2-aniline benzo(2,3-b) cyclopentane-1,3-dione
Source abstract
Abstract
The molecular and crystal structure of 2-aniline benzo(2,3-b) cyclopentane-1,3-dione has been determined by X-ray crystallographic techniques. This compound crystallizes in the orthorhombic space groupP212121 with unit cell parameters:a = 5.467(1),b = 10.657(3),c = 19.602(6) A;V = 1142.01(5) A3,Z = 4. The crystal structure has been resolved up to anR-factor 0.050 for 1129 reflections. All the three rings in the structure are planar. However, the dihedral angle between the phenyl ring and the moiety comprising of a five-membered and six-membered ring is 92.4°. The oxygen atom O1 acts as a trifurcated acceptor and is involved in the formation of three intermolecular interactions.
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Research context
OpenAlex topics: Molecular spectroscopy and chirality · Bioactive Compounds and Antitumor Agents · Crystal structures of chemical compounds
SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.
References (19)
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1. Byke R and Vandyke C 1997Cocaine (eds) R C Peterson and R C Stillman (Washington) p. 97
2. Deshmukh M B 2002 Private Communication, Shivaji University, Kolhapur, India
3. Desiraju G J and Steiner T 1999The weak hydrogen bond (New York: IUCr)
4. Farrugia L J 1997J. Appl. Cryst. 30 56510.1107/S0021889897003117 ↗
5. Hunter D, Neilson D G and Weakley T J R 1985J. Chem. Soc. Perkin Trans. 1 270910.1039/p19850002709 ↗
6. Jeffrey G A and Lewis L 1978Carbohydr. Res. 60 17810.1016/S0008-6215(00)83475-8 ↗
7. Johnson A T, Keszler D A, Sakuma K and White J D 1989Acta Crystallogr. C45 1114
8. Joshi B S, Newton M G, Lee D W, Barber A D and Pelletier S W 1996Tetrahedron Asymmetry 7 2510.1016/0957-4166(95)00412-2 ↗
9. Meurisse R L, Blaton N M, Peeters O M and De Ranter C J 1992Acta Crystallogr. C48 508
10. Nardelli M 1995J. Appl. Cryst. 28 65910.1107/S0021889895007138 ↗
11. Nedev K H, Minchev S and Noneva S 1989Dokl Bolg. Akad. Nauk. 42 31
12. Rajnikant, Gupta V K, Lal M, Rangari V D, Belsare D P, Soni B S and Varghese B 1998Mol. Mater. 9 131
13. Rajnikant, Dinesh, Mousmi, Deshmukh M B, Patil S S and Anshu Sawhney 2002J. Chem. Crystallogr. [communicated]
14. Rajnikant, Gupta V K, Dinesh, Mousmi, Deshmukh M B, Salunke D K, Dhondage S R and Anshu Sawhney 2003Asian J. Phys. 12 93
15. Selladurai S, Subramanian K, Lakshmi S, Chen Y, Holt E J and Rao S N 1996Acta Crystallogr. C52 94
16. Sheldrick G M 1986SHELXS86 program for the solution of crystal structures (Germany: University of Gottingen)
17. Sheldrick G M 1993SHELXS93 program for the refinement of crystal structures (Germany: University of Gottingen)
18. Taylor R and Kenard O 1983Acta Crystallogr. B39 13310.1107/S0108768183002116 ↗
19. Thappa R K, Agarwal S G, Dhar K L, Gupta V K and Goswami K N 1996Phytochemistry 42 148510.1016/0031-9422(96)00120-3 ↗