Crystallography Open Database

Information card for entry 7251897

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Coordinates	7251897.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H18 N4 O
Calculated formula	C13 H18 N4 O
Title of publication	Carbamoyl azide–drug conjugates as supramolecular gelators: design, synthesis, crystal structures and anti-melanoma property
Authors of publication	Baskey, Manoj Kumar; Ghosh, Subhajit; Ahmed, Sabir; Dastidar, Parthasarathi
Journal of publication	CrystEngComm
Year of publication	2026
Journal volume	28
Journal issue	20
Pages of publication	3210 - 3224
a	5.207 ± 0.002 Å
b	11.084 ± 0.006 Å
c	11.85 ± 0.005 Å
α	98.187 ± 0.017°
β	97.794 ± 0.015°
γ	95.548 ± 0.017°
Cell volume	666 ± 0.5 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110.46 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0899
Residual factor for significantly intense reflections	0.0647
Weighted residual factors for significantly intense reflections	0.1646
Weighted residual factors for all reflections included in the refinement	0.1825
Goodness-of-fit parameter for all reflections included in the refinement	1.036
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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