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2-Amino-4-(4-chloro-phen-yl)-5-oxo-5,6,7,8-tetra-hydro-4H-chromene-3-carbonitrile.

Mohamed SK, Akkurt M, Abdelhamid AA, Singh K, Allahverdiyev MA - Acta Crystallogr Sect E Struct Rep Online (2012)

Bottom Line: The pyran ring is essentialy planar [maximum deviation = 0.038 (2) Å] and forms a dihedral angle of 89.68 (10)° with the benzene ring.These dimers are further linked by N-H⋯O hydrogen bonds into chains along [110].Weak C-H⋯O hydrogen bonds are also present.

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ABSTRACT
In the title moleclue, C(16)H(13)ClN(2)O(2), the cyclo-hexene ring is in a sofa conformation. The pyran ring is essentialy planar [maximum deviation = 0.038 (2) Å] and forms a dihedral angle of 89.68 (10)° with the benzene ring. In the crystal, mol-ecules are linked by pairs of N-H⋯N hydrogen bonds, forming inversion dimers with R(2) (2)(12) ring motifs. These dimers are further linked by N-H⋯O hydrogen bonds into chains along [110]. Weak C-H⋯O hydrogen bonds are also present.

No MeSH data available.


Related in: MedlinePlus

Part of the crystal structure of (I) with hydrogen bonds shown as dashed lines. H atoms not involved in H-bonding are omitted for clarity. Symmetry codes: (b) -x+1, -y+1, -z+1; (c) x+1/2, y+1/2, z; (d) -x+1/2, -y+1/2, -z+1.
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Fap2: Part of the crystal structure of (I) with hydrogen bonds shown as dashed lines. H atoms not involved in H-bonding are omitted for clarity. Symmetry codes: (b) -x+1, -y+1, -z+1; (c) x+1/2, y+1/2, z; (d) -x+1/2, -y+1/2, -z+1.


2-Amino-4-(4-chloro-phen-yl)-5-oxo-5,6,7,8-tetra-hydro-4H-chromene-3-carbonitrile.

Mohamed SK, Akkurt M, Abdelhamid AA, Singh K, Allahverdiyev MA - Acta Crystallogr Sect E Struct Rep Online (2012)

Part of the crystal structure of (I) with hydrogen bonds shown as dashed lines. H atoms not involved in H-bonding are omitted for clarity. Symmetry codes: (b) -x+1, -y+1, -z+1; (c) x+1/2, y+1/2, z; (d) -x+1/2, -y+1/2, -z+1.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC3344539&req=5

Fap2: Part of the crystal structure of (I) with hydrogen bonds shown as dashed lines. H atoms not involved in H-bonding are omitted for clarity. Symmetry codes: (b) -x+1, -y+1, -z+1; (c) x+1/2, y+1/2, z; (d) -x+1/2, -y+1/2, -z+1.
Bottom Line: The pyran ring is essentialy planar [maximum deviation = 0.038 (2) Å] and forms a dihedral angle of 89.68 (10)° with the benzene ring.These dimers are further linked by N-H⋯O hydrogen bonds into chains along [110].Weak C-H⋯O hydrogen bonds are also present.

View Article: PubMed Central - HTML - PubMed

ABSTRACT
In the title moleclue, C(16)H(13)ClN(2)O(2), the cyclo-hexene ring is in a sofa conformation. The pyran ring is essentialy planar [maximum deviation = 0.038 (2) Å] and forms a dihedral angle of 89.68 (10)° with the benzene ring. In the crystal, mol-ecules are linked by pairs of N-H⋯N hydrogen bonds, forming inversion dimers with R(2) (2)(12) ring motifs. These dimers are further linked by N-H⋯O hydrogen bonds into chains along [110]. Weak C-H⋯O hydrogen bonds are also present.

No MeSH data available.


Related in: MedlinePlus