11-(2-Oxopyrrolidin-1-ylmethyl)-1,2,3,4,5,6,11,11a-octahydropyrido[2,1-<i>b</i>]quinazolin-6-one dihydrate

Samarov, Z. U.; Okmanov, R. Ya.; Turgunov, K. K.; Tashkhodzhaev, B.; Shakhidoyatov, Khusnutdin M.

doi:10.1107/s1600536810009955

Cited by 3 publications

(1 citation statement)

References 7 publications

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“…Five related compounds, which also have the 1,3,4,6-tetrahydro-2H-pyrido[1,2-a]pyrimidine ring system seen in the title compound, were found in a search of the Cambridge Structural Database (CSD version 5.42, update of November 2020; Groom et al, 2016): CSD refcode IQEFOC , VAMBET (Khodjaniyazov & Ashurov, 2016), HECLUZ (Khodjaniyazov et al, 2017), LEGLIU (Chen et al, 2012) and KUTPEV (Samarov et al, 2010).…”

Section: Database Surveymentioning

confidence: 99%

Crystal structure and Hirshfeld surface analysis of 6-imino-8-(4-methylphenyl)-1,3,4,6-tetrahydro-2H-pyrido[1,2-a]pyrimidine-7,9-dicarbonitrile

Naghiyev,

Khrustalev,

Akkurt

et al. 2024

Acta Cryst E

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In the ten-membered 1,3,4,6-tetrahydro-2H-pyrido[1,2-a]pyrimidine ring system of the title compound, C17H15N5, the 1,2-dihydropyridine ring is essentially planar (r.m.s. deviation = 0.001 Å), while the 1,3-diazinane ring has a distorted twist-boat conformation. In the crystal, molecules are linked by N—H...N and C—H...N hydrogen bonds, forming a three-dimensional network. In addition, C—H...π interactions form layers parallel to the (100) plane. Thus, crystal-structure cohesion is ensured. According to a Hirshfeld surface study, H...H (40.4%), N...H/H...N (28.6%) and C...H/H...C (24.1%) interactions are the most important contributors to the crystal packing.

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Section: Database Surveymentioning

confidence: 99%

Crystal structure and Hirshfeld surface analysis of 6-imino-8-(4-methylphenyl)-1,3,4,6-tetrahydro-2H-pyrido[1,2-a]pyrimidine-7,9-dicarbonitrile

Naghiyev,

Khrustalev,

Akkurt

et al. 2024

Acta Cryst E

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Crystal structure and Hirshfeld surface analysis of 6-amino-8-(2,6-dichlorophenyl)-1,3,4,8-tetrahydro-2H-pyrido[1,2-a]pyrimidine-7,9-dicarbonitrile

Naghiyev¹,

Tereshina²,

Khrustalev³

et al. 2021

Acta Cryst E

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In the molecular structure of the title compound, C16H13Cl2N5, the 1,4-dihydropyridine ring of the 1,3,4,8-tetrahydro-2H-pyrido[1,2-a]pyrimidine ring system adopts a screw-boat conformation, while the 1,3-diazinane ring is puckered. In the crystal, intermolecular N—H...N and C—H...N hydrogen bonds form molecular sheets parallel to the (110) and (\overline{1}10) planes, crossing each other. Adjacent molecules are further linked by C—H...π interactions, which form zigzag chains propagating parallel to [100]. A Hirshfeld surface analysis indicates that the most significant contributions to the crystal packing are from N...H/H...N (28.4%), H...H (24.5%), C...H/H...C (21.4%) and Cl...H/H...Cl (16.1%) contacts.

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Crystal structure and Hirshfeld surface analysis of 6-amino-8-phenyl-1,3,4,8-tetrahydro-2H-pyrido[1,2-a]pyrimidine-7,9-dicarbonitrile

et al. 2021

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In the title compound, C16H15N5, the 1,4-dihydropyridine ring has a shallow boat conformation, while the 1,3-diazinane ring adopts an envelope conformation. In the crystal, pairwise N—H...N hydrogen bonds generate centrosymmetric dimers featuring R 2 2(12) motifs and C—H...N contacts connect these dimers to form double layers lying parallel to (001). Weak C—H...π and N—H...π interactions help to consolidate the double layers and van der Waals interactions occur between layers. A Hirshfeld surface analysis indicates that the most significant contributions to the crystal packing are from H...H (38.5%), N...H/H...N (33.3%) and C...H/H...C (27.3%) contacts.

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11-(2-Oxopyrrolidin-1-ylmethyl)-1,2,3,4,5,6,11,11a-octahydropyrido[2,1-b]quinazolin-6-one dihydrate

Cited by 3 publications

References 7 publications

Crystal structure and Hirshfeld surface analysis of 6-imino-8-(4-methylphenyl)-1,3,4,6-tetrahydro-2H-pyrido[1,2-a]pyrimidine-7,9-dicarbonitrile

Crystal structure and Hirshfeld surface analysis of 6-imino-8-(4-methylphenyl)-1,3,4,6-tetrahydro-2H-pyrido[1,2-a]pyrimidine-7,9-dicarbonitrile

Crystal structure and Hirshfeld surface analysis of 6-amino-8-(2,6-dichlorophenyl)-1,3,4,8-tetrahydro-2H-pyrido[1,2-a]pyrimidine-7,9-dicarbonitrile

Crystal structure and Hirshfeld surface analysis of 6-amino-8-phenyl-1,3,4,8-tetrahydro-2H-pyrido[1,2-a]pyrimidine-7,9-dicarbonitrile

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