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2-Benzoyl-1,1-diethyl-3-phenyl-guanidine.

ABSTRACT: In the title tetrasubstituted guanidine, C(18)H(21)N(3)O, the guanidine and carbonyl groups are not coplanar, as reflected by the torsion angles involving the N=C atoms [17.6?(3), -141.68?(17) and 42.2?(3)°]. This is probably due to the absence of an intra-molecular N-H?O hydrogen bond, forming a six-membered ring, and is commonly observed in this class of compounds. In the crystal structure, centrosymmetric dimers are formed via pairs of inter-molecular N-H?O hydrogen bonds. The dihedral angles between the guanidine plane and the phenyl ring and benzoyl plane are38.06?(9) and 41.54?(7)°, respectively.

SUBMITTER: Murtaza G

PROVIDER: S-EPMC2968374 | biostudies-literature | 2009 Jan

REPOSITORIES: biostudies-literature

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2-Benzoyl-1,1-diethyl-3-phenyl-guanidine.

Murtaza Ghulam G Hanif-Ur-Rehman Khawar Rauf M M Ebihara Masahiro M Badshah Amin A

Acta crystallographica. Section E, Structure reports online 20090117 Pt 2

In the title tetrasubstituted guanidine, C(18)H(21)N(3)O, the guanidine and carbonyl groups are not coplanar, as reflected by the torsion angles involving the N=C atoms [17.6 (3), -141.68 (17) and 42.2 (3)°]. This is probably due to the absence of an intra-molecular N-H⋯O hydrogen bond, forming a six-membered ring, and is commonly observed in this class of compounds. In the crystal structure, centrosymmetric dimers are formed via pairs of inter-molecular N-H⋯O hydrogen bonds. The dihedral angles ...[more]

PMID: 21581944

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