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4-Cyano-N-ethyl-spiro-[chromene-2,4'-piperidine]-1'-carboxamide.

ABSTRACT: The title compound, C17H19N3O2, crystallizes with two independent mol-ecules (A and B) in the asymmetric unit. In both mol-ecules, the pyran ring has a twisted conformation ((5)S4), with Q = 0.301?(3)?Å, ? = 116.7?(6) and ?= 213.6?(7)° for mol-ecule A, and Q = 0.364?(2)?Å, ? = 113.7?(3) and ? = 213.0?(4)° for mol-ecule B. In mol-ecule B, the terminal ethyl group is disordered over two orientations with an occupancy ratio of 0.55?(1):0.45?(1). In the crystal, mol-ecules A and B form very similar but separate R1(2)(7) motifs through N-H?O and C-H?O hydrogen bonds. The resulting chains along [001] are inter-linked by weaker C-H?O and C-H?? inter-actions, forming layers parallel to the bc plane.

SUBMITTER: Rajalakshmi P 

PROVIDER: S-EPMC3588295 | biostudies-other | 2013 Jan

REPOSITORIES: biostudies-other

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4-Cyano-N-ethyl-spiro-[chromene-2,4'-piperidine]-1'-carboxamide.

Rajalakshmi P P   Srinivasan N N   Krishnakumar R V RV  

Acta crystallographica. Section E, Structure reports online 20121222 Pt 1

The title compound, C17H19N3O2, crystallizes with two independent mol-ecules (A and B) in the asymmetric unit. In both mol-ecules, the pyran ring has a twisted conformation ((5)S4), with Q = 0.301 (3) Å, θ = 116.7 (6) and ϕ= 213.6 (7)° for mol-ecule A, and Q = 0.364 (2) Å, θ = 113.7 (3) and ϕ = 213.0 (4)° for mol-ecule B. In mol-ecule B, the terminal ethyl group is disordered over two orientations with an occupancy ratio of 0.55 (1):0.45 (1). In the crystal, mol-ecules A and B form very similar  ...[more]

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