Ethyl 3-(4-chlorophenyl)-2-(dipentylamino)-4-oxo-5-phenyl-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidine-7-carboxylate

In the title compound, C31H37ClN4O3, the fused rings of the pyrrolo[3,2-d]pyrimidine system form a dihedral angle of 5.80 (11)°. The phenyl and benzene rings are twisted with respect to the mean plane of the pyrrolo[3,2-d]pyrimidine system [maximum deviation = 0.077 (2) Å], making dihedral angles of...
Ausführliche Beschreibung

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Autor*in:	Ping He [verfasserIn] Qin-Qin Wan [verfasserIn] Quan-Lei Liao [verfasserIn]

Format:	E-Artikel
Sprache:	Englisch

Erschienen:	2012

Übergeordnetes Werk:	In: Acta Crystallographica Section E - International Union of Crystallography, 2005, 68(2012), 7, Seite o1990-o1991
Übergeordnetes Werk:	volume:68 ; year:2012 ; number:7 ; pages:o1990-o1991

Links:	Link aufrufen Link aufrufen Link aufrufen Journal toc

DOI / URN:	10.1107/S1600536812024609

Katalog-ID:	DOAJ014322234

Internformat


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245	1	0	\|a Ethyl 3-(4-chlorophenyl)-2-(dipentylamino)-4-oxo-5-phenyl-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidine-7-carboxylate
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spelling	10.1107/S1600536812024609 doi (DE-627)DOAJ014322234 (DE-599)DOAJ2f7b8a612c5341589fd7e52e06d0c742 DE-627 ger DE-627 rakwb eng QD901-999 Ping He verfasserin aut Ethyl 3-(4-chlorophenyl)-2-(dipentylamino)-4-oxo-5-phenyl-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidine-7-carboxylate 2012 Text txt rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier In the title compound, C31H37ClN4O3, the fused rings of the pyrrolo[3,2-d]pyrimidine system form a dihedral angle of 5.80 (11)°. The phenyl and benzene rings are twisted with respect to the mean plane of the pyrrolo[3,2-d]pyrimidine system [maximum deviation = 0.077 (2) Å], making dihedral angles of 61.05 (12) and 75.39 (10)°, respectively. The ethoxy group is disordered over two positions with the site-occupancy ratio fixed at 0.54:0.46. In the crystal, molecules are linked via C—H...O hydrogen bonds, forming a two-dimensional network lying parallel to the ab plane. There are also π–π [centroid–centroid distances = 3.5954 (17) and 3.965 (2) Å] and C—H...π interactions present. Crystallography Qin-Qin Wan verfasserin aut Quan-Lei Liao verfasserin aut In Acta Crystallographica Section E International Union of Crystallography, 2005 68(2012), 7, Seite o1990-o1991 (DE-627)326977392 (DE-600)2041947-8 16005368 nnns volume:68 year:2012 number:7 pages:o1990-o1991 https://doi.org/10.1107/S1600536812024609 kostenfrei https://doaj.org/article/2f7b8a612c5341589fd7e52e06d0c742 kostenfrei http://scripts.iucr.org/cgi-bin/paper?S1600536812024609 kostenfrei https://doaj.org/toc/1600-5368 Journal toc kostenfrei GBV_USEFLAG_A SYSFLAG_A GBV_DOAJ GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_31 GBV_ILN_39 GBV_ILN_40 GBV_ILN_60 GBV_ILN_62 GBV_ILN_63 GBV_ILN_65 GBV_ILN_69 GBV_ILN_70 GBV_ILN_73 GBV_ILN_95 GBV_ILN_105 GBV_ILN_110 GBV_ILN_151 GBV_ILN_161 GBV_ILN_170 GBV_ILN_213 GBV_ILN_230 GBV_ILN_285 GBV_ILN_293 GBV_ILN_370 GBV_ILN_381 GBV_ILN_602 GBV_ILN_2014 GBV_ILN_4012 GBV_ILN_4037 GBV_ILN_4112 GBV_ILN_4125 GBV_ILN_4126 GBV_ILN_4249 GBV_ILN_4305 GBV_ILN_4306 GBV_ILN_4307 GBV_ILN_4313 GBV_ILN_4322 GBV_ILN_4323 GBV_ILN_4324 GBV_ILN_4325 GBV_ILN_4338 GBV_ILN_4367 GBV_ILN_4700 AR 68 2012 7 o1990-o1991
allfields_unstemmed	10.1107/S1600536812024609 doi (DE-627)DOAJ014322234 (DE-599)DOAJ2f7b8a612c5341589fd7e52e06d0c742 DE-627 ger DE-627 rakwb eng QD901-999 Ping He verfasserin aut Ethyl 3-(4-chlorophenyl)-2-(dipentylamino)-4-oxo-5-phenyl-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidine-7-carboxylate 2012 Text txt rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier In the title compound, C31H37ClN4O3, the fused rings of the pyrrolo[3,2-d]pyrimidine system form a dihedral angle of 5.80 (11)°. The phenyl and benzene rings are twisted with respect to the mean plane of the pyrrolo[3,2-d]pyrimidine system [maximum deviation = 0.077 (2) Å], making dihedral angles of 61.05 (12) and 75.39 (10)°, respectively. The ethoxy group is disordered over two positions with the site-occupancy ratio fixed at 0.54:0.46. In the crystal, molecules are linked via C—H...O hydrogen bonds, forming a two-dimensional network lying parallel to the ab plane. There are also π–π [centroid–centroid distances = 3.5954 (17) and 3.965 (2) Å] and C—H...π interactions present. Crystallography Qin-Qin Wan verfasserin aut Quan-Lei Liao verfasserin aut In Acta Crystallographica Section E International Union of Crystallography, 2005 68(2012), 7, Seite o1990-o1991 (DE-627)326977392 (DE-600)2041947-8 16005368 nnns volume:68 year:2012 number:7 pages:o1990-o1991 https://doi.org/10.1107/S1600536812024609 kostenfrei https://doaj.org/article/2f7b8a612c5341589fd7e52e06d0c742 kostenfrei http://scripts.iucr.org/cgi-bin/paper?S1600536812024609 kostenfrei https://doaj.org/toc/1600-5368 Journal toc kostenfrei GBV_USEFLAG_A SYSFLAG_A GBV_DOAJ GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_31 GBV_ILN_39 GBV_ILN_40 GBV_ILN_60 GBV_ILN_62 GBV_ILN_63 GBV_ILN_65 GBV_ILN_69 GBV_ILN_70 GBV_ILN_73 GBV_ILN_95 GBV_ILN_105 GBV_ILN_110 GBV_ILN_151 GBV_ILN_161 GBV_ILN_170 GBV_ILN_213 GBV_ILN_230 GBV_ILN_285 GBV_ILN_293 GBV_ILN_370 GBV_ILN_381 GBV_ILN_602 GBV_ILN_2014 GBV_ILN_4012 GBV_ILN_4037 GBV_ILN_4112 GBV_ILN_4125 GBV_ILN_4126 GBV_ILN_4249 GBV_ILN_4305 GBV_ILN_4306 GBV_ILN_4307 GBV_ILN_4313 GBV_ILN_4322 GBV_ILN_4323 GBV_ILN_4324 GBV_ILN_4325 GBV_ILN_4338 GBV_ILN_4367 GBV_ILN_4700 AR 68 2012 7 o1990-o1991
allfieldsGer	10.1107/S1600536812024609 doi (DE-627)DOAJ014322234 (DE-599)DOAJ2f7b8a612c5341589fd7e52e06d0c742 DE-627 ger DE-627 rakwb eng QD901-999 Ping He verfasserin aut Ethyl 3-(4-chlorophenyl)-2-(dipentylamino)-4-oxo-5-phenyl-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidine-7-carboxylate 2012 Text txt rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier In the title compound, C31H37ClN4O3, the fused rings of the pyrrolo[3,2-d]pyrimidine system form a dihedral angle of 5.80 (11)°. The phenyl and benzene rings are twisted with respect to the mean plane of the pyrrolo[3,2-d]pyrimidine system [maximum deviation = 0.077 (2) Å], making dihedral angles of 61.05 (12) and 75.39 (10)°, respectively. The ethoxy group is disordered over two positions with the site-occupancy ratio fixed at 0.54:0.46. In the crystal, molecules are linked via C—H...O hydrogen bonds, forming a two-dimensional network lying parallel to the ab plane. There are also π–π [centroid–centroid distances = 3.5954 (17) and 3.965 (2) Å] and C—H...π interactions present. Crystallography Qin-Qin Wan verfasserin aut Quan-Lei Liao verfasserin aut In Acta Crystallographica Section E International Union of Crystallography, 2005 68(2012), 7, Seite o1990-o1991 (DE-627)326977392 (DE-600)2041947-8 16005368 nnns volume:68 year:2012 number:7 pages:o1990-o1991 https://doi.org/10.1107/S1600536812024609 kostenfrei https://doaj.org/article/2f7b8a612c5341589fd7e52e06d0c742 kostenfrei http://scripts.iucr.org/cgi-bin/paper?S1600536812024609 kostenfrei https://doaj.org/toc/1600-5368 Journal toc kostenfrei GBV_USEFLAG_A SYSFLAG_A GBV_DOAJ GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_31 GBV_ILN_39 GBV_ILN_40 GBV_ILN_60 GBV_ILN_62 GBV_ILN_63 GBV_ILN_65 GBV_ILN_69 GBV_ILN_70 GBV_ILN_73 GBV_ILN_95 GBV_ILN_105 GBV_ILN_110 GBV_ILN_151 GBV_ILN_161 GBV_ILN_170 GBV_ILN_213 GBV_ILN_230 GBV_ILN_285 GBV_ILN_293 GBV_ILN_370 GBV_ILN_381 GBV_ILN_602 GBV_ILN_2014 GBV_ILN_4012 GBV_ILN_4037 GBV_ILN_4112 GBV_ILN_4125 GBV_ILN_4126 GBV_ILN_4249 GBV_ILN_4305 GBV_ILN_4306 GBV_ILN_4307 GBV_ILN_4313 GBV_ILN_4322 GBV_ILN_4323 GBV_ILN_4324 GBV_ILN_4325 GBV_ILN_4338 GBV_ILN_4367 GBV_ILN_4700 AR 68 2012 7 o1990-o1991
allfieldsSound	10.1107/S1600536812024609 doi (DE-627)DOAJ014322234 (DE-599)DOAJ2f7b8a612c5341589fd7e52e06d0c742 DE-627 ger DE-627 rakwb eng QD901-999 Ping He verfasserin aut Ethyl 3-(4-chlorophenyl)-2-(dipentylamino)-4-oxo-5-phenyl-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidine-7-carboxylate 2012 Text txt rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier In the title compound, C31H37ClN4O3, the fused rings of the pyrrolo[3,2-d]pyrimidine system form a dihedral angle of 5.80 (11)°. The phenyl and benzene rings are twisted with respect to the mean plane of the pyrrolo[3,2-d]pyrimidine system [maximum deviation = 0.077 (2) Å], making dihedral angles of 61.05 (12) and 75.39 (10)°, respectively. The ethoxy group is disordered over two positions with the site-occupancy ratio fixed at 0.54:0.46. In the crystal, molecules are linked via C—H...O hydrogen bonds, forming a two-dimensional network lying parallel to the ab plane. There are also π–π [centroid–centroid distances = 3.5954 (17) and 3.965 (2) Å] and C—H...π interactions present. Crystallography Qin-Qin Wan verfasserin aut Quan-Lei Liao verfasserin aut In Acta Crystallographica Section E International Union of Crystallography, 2005 68(2012), 7, Seite o1990-o1991 (DE-627)326977392 (DE-600)2041947-8 16005368 nnns volume:68 year:2012 number:7 pages:o1990-o1991 https://doi.org/10.1107/S1600536812024609 kostenfrei https://doaj.org/article/2f7b8a612c5341589fd7e52e06d0c742 kostenfrei http://scripts.iucr.org/cgi-bin/paper?S1600536812024609 kostenfrei https://doaj.org/toc/1600-5368 Journal toc kostenfrei GBV_USEFLAG_A SYSFLAG_A GBV_DOAJ GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_31 GBV_ILN_39 GBV_ILN_40 GBV_ILN_60 GBV_ILN_62 GBV_ILN_63 GBV_ILN_65 GBV_ILN_69 GBV_ILN_70 GBV_ILN_73 GBV_ILN_95 GBV_ILN_105 GBV_ILN_110 GBV_ILN_151 GBV_ILN_161 GBV_ILN_170 GBV_ILN_213 GBV_ILN_230 GBV_ILN_285 GBV_ILN_293 GBV_ILN_370 GBV_ILN_381 GBV_ILN_602 GBV_ILN_2014 GBV_ILN_4012 GBV_ILN_4037 GBV_ILN_4112 GBV_ILN_4125 GBV_ILN_4126 GBV_ILN_4249 GBV_ILN_4305 GBV_ILN_4306 GBV_ILN_4307 GBV_ILN_4313 GBV_ILN_4322 GBV_ILN_4323 GBV_ILN_4324 GBV_ILN_4325 GBV_ILN_4338 GBV_ILN_4367 GBV_ILN_4700 AR 68 2012 7 o1990-o1991
language	English
source	In Acta Crystallographica Section E 68(2012), 7, Seite o1990-o1991 volume:68 year:2012 number:7 pages:o1990-o1991
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callnumber-first	Q - Science
author	Ping He
spellingShingle	Ping He misc QD901-999 misc Crystallography Ethyl 3-(4-chlorophenyl)-2-(dipentylamino)-4-oxo-5-phenyl-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidine-7-carboxylate
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topic_title	QD901-999 Ethyl 3-(4-chlorophenyl)-2-(dipentylamino)-4-oxo-5-phenyl-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidine-7-carboxylate
topic	misc QD901-999 misc Crystallography
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title	Ethyl 3-(4-chlorophenyl)-2-(dipentylamino)-4-oxo-5-phenyl-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidine-7-carboxylate
ctrlnum	(DE-627)DOAJ014322234 (DE-599)DOAJ2f7b8a612c5341589fd7e52e06d0c742
title_full	Ethyl 3-(4-chlorophenyl)-2-(dipentylamino)-4-oxo-5-phenyl-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidine-7-carboxylate
author_sort	Ping He
journal	Acta Crystallographica Section E
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author_browse	Ping He Qin-Qin Wan Quan-Lei Liao
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author-letter	Ping He
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title_sort	ethyl 3-(4-chlorophenyl)-2-(dipentylamino)-4-oxo-5-phenyl-4,5-dihydro-3h-pyrrolo[3,2-d]pyrimidine-7-carboxylate
callnumber	QD901-999
title_auth	Ethyl 3-(4-chlorophenyl)-2-(dipentylamino)-4-oxo-5-phenyl-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidine-7-carboxylate
abstract	In the title compound, C31H37ClN4O3, the fused rings of the pyrrolo[3,2-d]pyrimidine system form a dihedral angle of 5.80 (11)°. The phenyl and benzene rings are twisted with respect to the mean plane of the pyrrolo[3,2-d]pyrimidine system [maximum deviation = 0.077 (2) Å], making dihedral angles of 61.05 (12) and 75.39 (10)°, respectively. The ethoxy group is disordered over two positions with the site-occupancy ratio fixed at 0.54:0.46. In the crystal, molecules are linked via C—H...O hydrogen bonds, forming a two-dimensional network lying parallel to the ab plane. There are also π–π [centroid–centroid distances = 3.5954 (17) and 3.965 (2) Å] and C—H...π interactions present.
abstractGer	In the title compound, C31H37ClN4O3, the fused rings of the pyrrolo[3,2-d]pyrimidine system form a dihedral angle of 5.80 (11)°. The phenyl and benzene rings are twisted with respect to the mean plane of the pyrrolo[3,2-d]pyrimidine system [maximum deviation = 0.077 (2) Å], making dihedral angles of 61.05 (12) and 75.39 (10)°, respectively. The ethoxy group is disordered over two positions with the site-occupancy ratio fixed at 0.54:0.46. In the crystal, molecules are linked via C—H...O hydrogen bonds, forming a two-dimensional network lying parallel to the ab plane. There are also π–π [centroid–centroid distances = 3.5954 (17) and 3.965 (2) Å] and C—H...π interactions present.
abstract_unstemmed	In the title compound, C31H37ClN4O3, the fused rings of the pyrrolo[3,2-d]pyrimidine system form a dihedral angle of 5.80 (11)°. The phenyl and benzene rings are twisted with respect to the mean plane of the pyrrolo[3,2-d]pyrimidine system [maximum deviation = 0.077 (2) Å], making dihedral angles of 61.05 (12) and 75.39 (10)°, respectively. The ethoxy group is disordered over two positions with the site-occupancy ratio fixed at 0.54:0.46. In the crystal, molecules are linked via C—H...O hydrogen bonds, forming a two-dimensional network lying parallel to the ab plane. There are also π–π [centroid–centroid distances = 3.5954 (17) and 3.965 (2) Å] and C—H...π interactions present.
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container_issue	7
title_short	Ethyl 3-(4-chlorophenyl)-2-(dipentylamino)-4-oxo-5-phenyl-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidine-7-carboxylate
url	https://doi.org/10.1107/S1600536812024609 https://doaj.org/article/2f7b8a612c5341589fd7e52e06d0c742 http://scripts.iucr.org/cgi-bin/paper?S1600536812024609 https://doaj.org/toc/1600-5368
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author2	Qin-Qin Wan Quan-Lei Liao
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doi_str	10.1107/S1600536812024609
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up_date	2024-07-03T22:26:29.051Z
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score	7.3986473

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Ethyl 3-(4-chlorophenyl)-2-(dipentylamino)-4-oxo-5-phenyl-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidine-7-carboxylate

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