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Home > Publication > Four related diethyl [(arylamino)(4-ethynylphenyl)methyl]phosphonates.

Four related diethyl [(arylamino)(4-ethynylphenyl)methyl]phosphonates.

Ouahrouch A1, Krim J, Taourirte M, Lazrek HB, Engels JW, Bats JW.

Acta Crystallogr C. 2013 Oct;69(Pt 10):1157-63. doi: 10.1107/S0108270113022981. Epub 2013 Sep 6.

Crystal structures are reported for four related diethyl [(arylamino)(4-ethynylphenyl)lmethyl]phosphonate derivatives, namely diethyl [(4-bromoanilino)(4-ethynylphenyl)methyl]phosphonate, C19H21BrNO3P, (I), diethyl ((4-chloro-2-methylanilino){4-[2-(trimethylsilyl)ethynyl]phenyl}methyl)phosphonate, C23H31ClNO3PSi, (II), diethyl ((4-fluoroanilino){4-[2-(trimethylsilyl)ethynyl]phenyl}methyl)phosphonate, C22H29FNO3PSi, (III), and diethyl [(4-ethynylphenyl)(naphthalen-2-ylamino)methyl]phosphonate, C23H24NO3P, (IV). The conformation of the anilinobenzyl group is very similar in all four compounds. The P-C bond has an approximately staggered conformation, with the aniline and ethynylphenyl groups in gauche positions with respect to the P=O double bond. The two six-membered rings are almost perpendicular. The sums of the valence angles about the N atoms vary from 344 (2) to 351 (2)°. In the crystal structures, molecules of (I), (III) and (IV) are arranged as centrosymmetric or pseudocentrosymmetric dimers connected by two N-H···O=P hydrogen bonds. The molecules of (II) are arranged as centrosymmetric dimers connected by C(methyl)-H···O=P hydrogen bonds. The N-H bond of (II) is not involved in hydrogen bonding.

Chemicals Used in the Paper:

Catalog Number Product Name Structure CAS Number Price
ACM75867399 4-[(Trimethylsilyl)ethynyl]aniline 4-[(Trimethylsilyl)ethynyl]aniline 75867-39-9 Price

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