BIOMAT Database Logo BIOMAT Database Logo

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. 2012

Shaaban K Mohamed, and Mehmet Akkurt, and Muhammad N Tahir, and Antar A Abdelhamid, and Mustafa R Albayati

In the title compound, C(18)H(17)ClN(2)O(2)·C(3)H(6)O, the 4H-pyran ring is nearly planar [maximum deviation = -0.108 (1) Å] and the cyclo-hexene ring is puckered [puckering parameters Q(T) = 0.4596 (17) Å, θ = 55.9 (2)° and ϕ = 226.5 (3)°]. The 4H-pyran ring is approximately perpendicular to the benzene ring [dihedral angle = 84.35 (7)°] and is almost coplanar with the mean plane of the cyclo-hexene ring [dihedral angle = 8.64 (7)°]. In the crystal, inversion-related main mol-ecules are linked into dimers by pairs of N-H⋯N hydrogen bonds, generating an R(2) (2)(12) graph-set motif. These dimers are further connected by N-H⋯O and C-H⋯N hydrogen bonds, forming a layer structure extending parallel to the (011) plane. In addition, the mol-ecules within the layers inter-act with each other via C-H⋯π inter-actions.

UI MeSH Term Description Entries

Related Publications

Shaaban K Mohamed, and Mehmet Akkurt, and Muhammad N Tahir, and Antar A Abdelhamid, and Mustafa R Albayati
2-Amino-4-(2-chloro-phen-yl)-5-oxo-5,6,7,8-tetra-hydro-4H-chromene-3-carbonitrile ethanol monosolvate.
November 2011, Acta crystallographica. Section E, Structure reports online,
Shaaban K Mohamed, and Mehmet Akkurt, and Muhammad N Tahir, and Antar A Abdelhamid, and Mustafa R Albayati
2-Amino-7,7-dimethyl-5-oxo-4-[3-(trifluoro-meth-yl)phen-yl]-5,6,7,8-tetra-hydro-4H-chromene-3-carbonitrile.
March 2013, Acta crystallographica. Section E, Structure reports online,
Shaaban K Mohamed, and Mehmet Akkurt, and Muhammad N Tahir, and Antar A Abdelhamid, and Mustafa R Albayati
2-Amino-4-[4-(dimethyl-amino)-phen-yl]-5-oxo-5,6,7,8-tetra-hydro-4H-chromene-3-carbonitrile.
November 2011, Acta crystallographica. Section E, Structure reports online,
Shaaban K Mohamed, and Mehmet Akkurt, and Muhammad N Tahir, and Antar A Abdelhamid, and Mustafa R Albayati
2-Amino-4-(2-chloro-phen-yl)-7,7-di-methyl-5-oxo-5,6,7,8-tetra-hydro-4H-chromene-3-carbonitrile hemihydrate.
March 2012, Acta crystallographica. Section E, Structure reports online,
Shaaban K Mohamed, and Mehmet Akkurt, and Muhammad N Tahir, and Antar A Abdelhamid, and Mustafa R Albayati
2-Amino-7,7-dimethyl-5-oxo-4-(p-tol-yl)-5,6,7,8-tetra-hydro-4H-chromene-3-carbonitrile.
August 2012, Acta crystallographica. Section E, Structure reports online,
Shaaban K Mohamed, and Mehmet Akkurt, and Muhammad N Tahir, and Antar A Abdelhamid, and Mustafa R Albayati
2-Amino-4-(4-meth-oxy-phen-yl)-5-oxo-5,6,7,8-tetra-hydro-4H-chromene-3-carbonitrile.
November 2011, Acta crystallographica. Section E, Structure reports online,
Shaaban K Mohamed, and Mehmet Akkurt, and Muhammad N Tahir, and Antar A Abdelhamid, and Mustafa R Albayati
2-Amino-5-oxo-4-phenyl-5,6,7,8-tetra-hydro-4H-chromene-3-carbonitrile.
April 2011, Acta crystallographica. Section E, Structure reports online,
Shaaban K Mohamed, and Mehmet Akkurt, and Muhammad N Tahir, and Antar A Abdelhamid, and Mustafa R Albayati
2-amino-4-(4-chlorophenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile.
January 2003, Acta crystallographica. Section C, Crystal structure communications,
Shaaban K Mohamed, and Mehmet Akkurt, and Muhammad N Tahir, and Antar A Abdelhamid, and Mustafa R Albayati
2-Amino-4-(1-naphthyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile and 2-amino-7,7-dimethyl-4-(1-naphthyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile.
May 2004, Acta crystallographica. Section C, Crystal structure communications,
Shaaban K Mohamed, and Mehmet Akkurt, and Muhammad N Tahir, and Antar A Abdelhamid, and Mustafa R Albayati
Crystal structure of 2-amino-5,6,7,8-tetra-hydro-7,7-dimethyl-4-(naphthalen-2-yl)-5-oxo-4H-chromene-3-carbo-nitrile.
June 2022, Acta crystallographica. Section E, Crystallographic communications,
Copied contents to your clipboard!