Crystallography Open Database

Information card for entry 7247780

Preview

Coordinates	7247780.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C3.87 H4.13 Cl0.13 F0.13 N0.52 O0.65
Calculated formula	C3.87097 H4.12903 Cl0.129032 F0.129032 N0.516129 O0.645161
Title of publication	Design, synthesis and in silico evaluation of newer 1,4-dihydropyridine based amlodipine bio-isosteres as promising antihypertensive agents
Authors of publication	Takkar, Priya; Singh, Bholey; Pani, Balaram; Kumar, Rakesh
Journal of publication	RSC Advances
Year of publication	2023
Journal volume	13
Journal issue	48
Pages of publication	34239 - 34248
a	9.5711 ± 0.0004 Å
b	37.8741 ± 0.0014 Å
c	7.842 ± 0.0003 Å
α	90°
β	101.89 ± 0.004°
γ	90°
Cell volume	2781.71 ± 0.19 Å³
Cell temperature	107 ± 2 K
Ambient diffraction temperature	107 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0603
Residual factor for significantly intense reflections	0.0468
Weighted residual factors for significantly intense reflections	0.1233
Weighted residual factors for all reflections included in the refinement	0.1304
Goodness-of-fit parameter for all reflections included in the refinement	1.087
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
287751 (current)	2023-11-23	cif/ Adding structures of 7247780 via cif-deposit CGI script.	7247780.cif