(8RS)-4-Amino-6-(4-chlorophenyl)-8-(2,4-dichlorothiazol-5-yl)-8, 9-dihydro-7H-pyrimido[4,5-b][1,4]diazepine N,N-dimethylformamide monosolvate: sheets built from N-H⋯N and C-H⋯O hydrogen bonds

J. Ramírez; B. Insuasty; J. Cobo; C. Glidewell

doi:10.1107/S2053229614008936

(8RS)-4-Amino-6-(4-chlorophenyl)-8-(2,4-dichlorothiazol-5-yl)-8, 9-dihydro-7H-pyrimido[4,5-b][1,4]diazepine N,N-dimethylformamide monosolvate: sheets built from N-H⋯N and C-H⋯O hydrogen bonds

J. Ramírez, B. Insuasty, J. Cobo, C. Glidewell

School of Chemistry

Research output: Contribution to journal › Article › peer-review

Abstract

In the title compound, C₁₆H₁₁C_l3N₆S·C₃H₇NO, the seven-membered ring adopts a conformation which is close to the twist-boat form. The molecular components are linked into sheets by a combination of two N-H⋯N hydrogen bonds and two C-H⋯O hydrogen bonds. Comparisons are made with other aminopyrimidine derivatives.

Original language	English
Pages (from-to)	536-540
Number of pages	5
Journal	Acta Crystallographica Section C Structural Chemistry
Volume	70
Issue number	6
DOIs	https://doi.org/10.1107/S2053229614008936
Publication status	Published - 1 Jun 2014

Keywords

Crystal structure
Biological properties
Pharmacological properties
Pyrimido[4,5-b][1,4]diazepine
Hydrogen bonding

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10.1107/S2053229614008936

Glidewell_2014_SC_8RS
© 2014 International Union of Crystallography.
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Ramírez, J., Insuasty, B., Cobo, J., & Glidewell, C. (2014). (8RS)-4-Amino-6-(4-chlorophenyl)-8-(2,4-dichlorothiazol-5-yl)-8, 9-dihydro-7H-pyrimido[4,5-b][1,4]diazepine N,N-dimethylformamide monosolvate: sheets built from N-H⋯N and C-H⋯O hydrogen bonds. Acta Crystallographica Section C Structural Chemistry, 70(6), 536-540. https://doi.org/10.1107/S2053229614008936

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title = "(8RS)-4-Amino-6-(4-chlorophenyl)-8-(2,4-dichlorothiazol-5-yl)-8, 9-dihydro-7H-pyrimido[4,5-b][1,4]diazepine N,N-dimethylformamide monosolvate: sheets built from N-H⋯N and C-H⋯O hydrogen bonds",

abstract = "In the title compound, C16H11Cl3N6S·C3H7NO, the seven-membered ring adopts a conformation which is close to the twist-boat form. The molecular components are linked into sheets by a combination of two N-H⋯N hydrogen bonds and two C-H⋯O hydrogen bonds. Comparisons are made with other aminopyrimidine derivatives.",

keywords = "Crystal structure, Biological properties, Pharmacological properties, Pyrimido[4,5-b][1,4]diazepine, Hydrogen bonding",

author = "J. Ram{\'i}rez and B. Insuasty and J. Cobo and C. Glidewell",

note = "The authors thank the Centro de Instrumentaci{\'o}n Cient{\'i}fico-T{\'e}cnica of the Universidad de Ja{\'e}n and the staff for the data collection. Financial support from COLCIENCIAS, the Universidad del Valle, the Consejer{\'i}a de Econom{\'i}a, Innovaci{\'o}n, Ciencia y Empleo (Junta de Andaluc{\'i}a, Spain) and the Universidad de Ja{\'e}n is gratefully acknowledged.",

year = "2014",

month = jun,

day = "1",

doi = "10.1107/S2053229614008936",

language = "English",

volume = "70",

pages = "536--540",

journal = "Acta Crystallographica Section C Structural Chemistry",

issn = "2053-2296",

publisher = "International Union of Crystallography",

number = "6",

}

Ramírez, J, Insuasty, B, Cobo, J & Glidewell, C 2014, '(8RS)-4-Amino-6-(4-chlorophenyl)-8-(2,4-dichlorothiazol-5-yl)-8, 9-dihydro-7H-pyrimido[4,5-b][1,4]diazepine N,N-dimethylformamide monosolvate: sheets built from N-H⋯N and C-H⋯O hydrogen bonds', Acta Crystallographica Section C Structural Chemistry, vol. 70, no. 6, pp. 536-540. https://doi.org/10.1107/S2053229614008936

(8RS)-4-Amino-6-(4-chlorophenyl)-8-(2,4-dichlorothiazol-5-yl)-8, 9-dihydro-7H-pyrimido[4,5-b][1,4]diazepine N,N-dimethylformamide monosolvate: sheets built from N-H⋯N and C-H⋯O hydrogen bonds. / Ramírez, J.; Insuasty, B.; Cobo, J. et al.
In: Acta Crystallographica Section C Structural Chemistry, Vol. 70, No. 6, 01.06.2014, p. 536-540.

Research output: Contribution to journal › Article › peer-review

TY - JOUR

T1 - (8RS)-4-Amino-6-(4-chlorophenyl)-8-(2,4-dichlorothiazol-5-yl)-8, 9-dihydro-7H-pyrimido[4,5-b][1,4]diazepine N,N-dimethylformamide monosolvate

T2 - sheets built from N-H⋯N and C-H⋯O hydrogen bonds

AU - Ramírez, J.

AU - Insuasty, B.

AU - Cobo, J.

AU - Glidewell, C.

N1 - The authors thank the Centro de Instrumentación Científico-Técnica of the Universidad de Jaén and the staff for the data collection. Financial support from COLCIENCIAS, the Universidad del Valle, the Consejería de Economía, Innovación, Ciencia y Empleo (Junta de Andalucía, Spain) and the Universidad de Jaén is gratefully acknowledged.

PY - 2014/6/1

Y1 - 2014/6/1

N2 - In the title compound, C16H11Cl3N6S·C3H7NO, the seven-membered ring adopts a conformation which is close to the twist-boat form. The molecular components are linked into sheets by a combination of two N-H⋯N hydrogen bonds and two C-H⋯O hydrogen bonds. Comparisons are made with other aminopyrimidine derivatives.

AB - In the title compound, C16H11Cl3N6S·C3H7NO, the seven-membered ring adopts a conformation which is close to the twist-boat form. The molecular components are linked into sheets by a combination of two N-H⋯N hydrogen bonds and two C-H⋯O hydrogen bonds. Comparisons are made with other aminopyrimidine derivatives.

KW - Crystal structure

KW - Biological properties

KW - Pharmacological properties

KW - Pyrimido[4,5-b][1,4]diazepine

KW - Hydrogen bonding

UR - https://www.scopus.com/pages/publications/84905500772

U2 - 10.1107/S2053229614008936

DO - 10.1107/S2053229614008936

M3 - Article

AN - SCOPUS:84905500772

SN - 2053-2296

VL - 70

SP - 536

EP - 540

JO - Acta Crystallographica Section C Structural Chemistry

JF - Acta Crystallographica Section C Structural Chemistry

IS - 6

ER -

(8RS)-4-Amino-6-(4-chlorophenyl)-8-(2,4-dichlorothiazol-5-yl)-8, 9-dihydro-7H-pyrimido[4,5-b][1,4]diazepine N,N-dimethylformamide monosolvate: sheets built from N-H⋯N and C-H⋯O hydrogen bonds

Abstract

Keywords

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