2-Amino-5-oxo-4-(thiophen-2-yl)-5,6,7,8-tetrahydro-4<i>H</i>-chromene-3-carbonitrile

The crystal structure of the title compound, C<sub>14</sub>H<sub>12</sub>N<sub>2</sub>O<sub>2</sub>S, reveals two symmetrically independent mol-ecules within the asymmetric unit. Each mol-ecule contains a chromenone core attached to a 2-thio-phene ring, cyano, and amino groups. The 2-thio-phene ring of one of the two mol-ecules in the asymmetric unit was found to be disordered over two positions, with the major component having a site occupancy factor of 0.837 (2). The 2-thio-phene ring is nearly orthogonal to the fused 4<i>H</i>-pyran ring, with dihedral angles between the two sets of planes being 89.5 (5) and 89.63 (8)°. Inter-molecular hydrogen bonding, involving N-H⋯N and N-H⋯O inter-actions, creates two distinct motifs leading to the formation of a two-dimensional supra-molecular network along the crystallographic <i>ac</i> plane.

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IUCrData
Published
2024-11-08
DOI
https://doi.org/10.1107/s2414314624010496
Citations
1
Primary Topic
Synthesis of Organic Compounds
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article
Field-Weighted Citation Impact
0.45

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article

2-Amino-5-oxo-4-(thiophen-2-yl)-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile

Eric M. Njogu, Sizwe J. Zamisa, Bernard Omondi, Carren Nyapola
1 citations
IUCrData
Synthesis of Organic Compounds
0.45
article

2-Amino-5-oxo-4-(thiophen-2-yl)-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile

Eric M. Njogu, Sizwe J. Zamisa, Bernard Omondi, Carren Nyapola
article en
1 citations

Abstract

The crystal structure of the title compound, C<sub>14</sub>H<sub>12</sub>N<sub>2</sub>O<sub>2</sub>S, reveals two symmetrically independent mol-ecules within the asymmetric unit. Each mol-ecule contains a chromenone core attached to a 2-thio-phene ring, cyano, and amino groups. The 2-thio-phene ring of one of the two mol-ecules in the asymmetric unit was found to be disordered over two positions, with the major component having a site occupancy factor of 0.837 (2). The 2-thio-phene ring is nearly orthogonal to the fused 4<i>H</i>-pyran ring, with dihedral angles between the two sets of planes being 89.5 (5) and 89.63 (8)°. Inter-molecular hydrogen bonding, involving N-H⋯N and N-H⋯O inter-actions, creates two distinct motifs leading to the formation of a two-dimensional supra-molecular network along the crystallographic <i>ac</i> plane.

IUCrDataVol. 9(11)
Multimedia University of Kenya (KE), University of KwaZulu-Natal (ZA)
Inyuvesi Yakwazulu-Natali
Clean water and sanitation
Openalex Percentile: Top 30%
Synthesis of Organic Compounds
0.45
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2-Amino-5-oxo-4-(thiophen-2-yl)-5,6,7,8-tetrahydro-4<i>H</i>-chromene-3-carbonitrile — Eric M. Njogu, Sizwe J. Zamisa, et al. · IUCrData (2024) | TGRS Research Map | TGRS