Unknown

Dataset Information

0

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

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.

SUBMITTER: Mohamed SK 

PROVIDER: S-EPMC3344539 | biostudies-literature | 2012 May

REPOSITORIES: biostudies-literature

Json Xml
altmetric image

Publications

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

Mohamed Shaaban K SK   Akkurt Mehmet M   Abdelhamid Antar A AA   Singh Kuldip K   Allahverdiyev M A MA  

Acta crystallographica. Section E, Structure reports online 20120418 Pt 5

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. ...[more]

Similar Datasets

Unknown 2-Amino-4-(2-chloro-phen-yl)-5-oxo-5,6,7,8-tetra-hydro-4H-chromene-3-carbonitrile ethanol monosolvate.
| S-EPMC3247485 | biostudies-literature
Unknown 2-Amino-4-(4-methyl-phen-yl)-5-oxo-5,6,7,8-tetra-hydro-4H-chromene-3-carbonitrile.
| S-EPMC3414183 | biostudies-literature
Unknown 2-Amino-4-(4-meth-oxy-phen-yl)-5-oxo-5,6,7,8-tetra-hydro-4H-chromene-3-carbonitrile.
| S-EPMC3247486 | biostudies-literature
Unknown 2-Amino-4-(4-chloro-phen-yl)-7,7-dimethyl-5-oxo-5,6,7,8-tetra-hydro-4H-chromene-3-carbonitrile propan-2-one monosolvate.
| S-EPMC3379514 | biostudies-literature
Unknown 2-Amino-4-(4-meth-oxy-phen-yl)-5-oxo-5,6,7,8-tetra-hydro-4H-chromene-3-carbonitrile 1,4-dioxane hemisolvate.
| S-EPMC3393982 | biostudies-literature
Unknown 2-Amino-7,7-dimethyl-5-oxo-4-(p-tol-yl)-5,6,7,8-tetra-hydro-4H-chromene-3-carbonitrile.
| S-EPMC3415029 | biostudies-literature
Unknown 2-Amino-4-[4-(dimethyl-amino)-phen-yl]-5-oxo-5,6,7,8-tetra-hydro-4H-chromene-3-carbonitrile.
| S-EPMC3247458 | biostudies-other
Unknown 2-Amino-5-oxo-4-phenyl-5,6,7,8-tetra-hydro-4H-chromene-3-carbonitrile.
| S-EPMC3099830 | biostudies-other
Unknown 2-Amino-4-(2-chloro-phen-yl)-7,7-di-methyl-5-oxo-5,6,7,8-tetra-hydro-4H-chromene-3-carbonitrile hemihydrate.
| S-EPMC3297884 | biostudies-other
Unknown 2-Amino-4-(4-meth-oxy-phen-yl)-7,7-di-methyl-5-oxo-5,6,7,8-tetra-hydro-4H-chromene-3-carbonitrile propan-2-one monosolvate.
| S-EPMC3394003 | biostudies-literature