Crystallography Open Database

Information card for entry 8106596

Preview

Coordinates	8106596.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H23 N7 O4
Calculated formula	C15 H23 N7 O4
SMILES	O=C(NC(C(=O)NN)(C)C)c1nc(ccc1)C(=O)NC(C(=O)NN)(C)C
Title of publication	Crystal structure of N 2,N 6-bis(1-hydrazinyl-2-methyl-1-oxopropan-2-yl) pyridine-2,6-dicarboxamide, C15H23N7O4
Authors of publication	Amr, Abd El-Galil E.; Khalifa, Nagy M.; Al-Omar, Mohamed A.; Ghabbour, Hazem A.
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2017
Journal volume	232
Journal issue	4
Pages of publication	537 - 539
a	18.4956 ± 0.0011 Å
b	23.9806 ± 0.0016 Å
c	8.1572 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	3618 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	41
Hermann-Mauguin space group symbol	A e a 2
Hall space group symbol	A 2 -2ab
Residual factor for all reflections	0.1029
Residual factor for significantly intense reflections	0.0521
Weighted residual factors for significantly intense reflections	0.0983
Weighted residual factors for all reflections included in the refinement	0.1144
Goodness-of-fit parameter for all reflections included in the refinement	1.027
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
280603 (current)	2023-01-25	cif/ Adding structures of 8106596 via cif-deposit CGI script.	8106596.cif