Crystal structure of 4,6-diamino-2-sulfanylidene-1,2-dihydropyridine-3-carbonitrile

Mohamed, Shaaban K.; Akkurt, Mehmet; Singh, Kuldip; Hussein, Bahgat R. M.; Albayati, Mustafa R.

doi:10.1107/s1600536814018029

Cited by 4 publications

(2 citation statements)

References 23 publications

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“…A search of the Cambridge Structural Database (CSD, Version 5.42, update of September 2021; Groom et al, 2016) gave eleven compounds closely related to the title compounds, viz. CSD refcodes YAXQAT (I) (Mamedov et al, 2022), OZAKOS (II) (Naghiyev et al, 2021), JEBREQ (III) (Mohana et al, 2017), JEBRAM (IV) (Mohana et al, 2017), SETWUK (V) (Suresh et al, 2007), SETWOE (VI) (Suresh et al, 2007), IQEFOC (VII) (Naghiyev et al, 2021a), MOKBUL (VIII) (Mohamed et al, 2014), PAVQIO (IX) (Al-Said et al, 2012), YIZGOE01 (X) (Jia & Tu, 2008) and YIBZAL (XI) (Eyduran et al, 2007).…”

Section: Database Surveymentioning

confidence: 99%

Crystal structures and Hirshfeld surface analyses of 2-amino-4-(4-bromophenyl)-6-oxo-1-phenyl-1,4,5,6-tetrahydropyridine-3-carbonitrile hemihydrate and 1,6-diamino-2-oxo-4-phenyl-1,2-dihydropyridine-3,5-dicarbonitrile

Naghiyev¹,

Хрусталев²,

Venskovsky³

et al. 2022

Acta Cryst E

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In 2-amino-4-(4-bromophenyl)-6-oxo-1-phenyl-1,4,5,6-tetrahydropyridine-3-carbonitrile hemihydrate, C18H14BrN3O·0.5H2O, (I), pairs of molecules are linked by pairs of N—H...N hydrogen bonds, forming dimers with an R 2 2(12) ring motif. The dimers are connected by N—H...Br and O—H...O hydrogen bonds, and C—Br...π interactions, forming layers parallel to the (010) plane. 1,6-Diamino-2-oxo-4-phenyl-1,2-dihydropyridine-3,5-dicarbonitrile, C13H9N5O, (II), crystallizes in the triclinic space group P\overline{1} with two independent molecules (IIA and IIB) in the asymmetric unit. In the crystal of (II), molecules IIA and IIB are linked by intermolecular N—H...N and N—H...O hydrogen bonds into layers parallel to (001). These layers are connected along the c-axis direction by weak C—H...N contacts. C—H...π and C—N...π interactions connect adjacent molecules, forming chains along the a-axis direction. In (I) and (II), the stability of the packing is ensured by van der Waals interactions between the layers. In (I), Hirshfeld surface analysis showed that the most important contributions to the crystal packing are from H...H (37.9%), C...H/H...C (18.4%), Br...H/H...Br (13.3%), N...H/H...N (11.5%) and O...H/H...O (10.0%) interactions, while in (II), H...H interactions are the most significant contributors to the crystal packing (27.6% for molecule IIA and 23.1% for molecule IIB).

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Section: Database Surveymentioning

confidence: 99%

Crystal structures and Hirshfeld surface analyses of 2-amino-4-(4-bromophenyl)-6-oxo-1-phenyl-1,4,5,6-tetrahydropyridine-3-carbonitrile hemihydrate and 1,6-diamino-2-oxo-4-phenyl-1,2-dihydropyridine-3,5-dicarbonitrile

Naghiyev¹,

Хрусталев²,

Venskovsky³

et al. 2022

Acta Cryst E

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“…For the synthesis of the title compound, see: Abu-Shanab (1999). For a similar structure, see: Mohamed et al (2014).…”

Section: Related Literaturementioning

confidence: 99%

Crystal structure of 4,6-diamino-2-(methylsulfanyl)pyridine-3-carbonitrile

et al. 2015

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The title pyrimidine derivative, C7H8N4S, is essentially planar, with a maximum deviation of 0.029 (2) Å from the mean plane of the non-H atoms. In the crystal, molecules are linked by an intermolecular bifurcated N—H⋯N hydrogen bond between the cyano N atom and the two amino groups, an N—H⋯N hydrogen bond between the two amino groups and a weak C—H⋯π interaction, forming a three-dimensional network.

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Positive Effects of Isopropanol as a Co-Precipitant in Glycerol-3-Phosphate Acyltransferase Crystallization

Zhang

Feng

Wang

et al. 2019

J. Ocean Univ. China

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Crystal structure of 4,6-diamino-2-sulfanylidene-1,2-dihydropyridine-3-carbonitrile

Cited by 4 publications

References 23 publications

Crystal structures and Hirshfeld surface analyses of 2-amino-4-(4-bromophenyl)-6-oxo-1-phenyl-1,4,5,6-tetrahydropyridine-3-carbonitrile hemihydrate and 1,6-diamino-2-oxo-4-phenyl-1,2-dihydropyridine-3,5-dicarbonitrile

Crystal structures and Hirshfeld surface analyses of 2-amino-4-(4-bromophenyl)-6-oxo-1-phenyl-1,4,5,6-tetrahydropyridine-3-carbonitrile hemihydrate and 1,6-diamino-2-oxo-4-phenyl-1,2-dihydropyridine-3,5-dicarbonitrile

Crystal structure of 4,6-diamino-2-(methylsulfanyl)pyridine-3-carbonitrile

Positive Effects of Isopropanol as a Co-Precipitant in Glycerol-3-Phosphate Acyltransferase Crystallization

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